From owner-chemistry@ccl.net Wed Apr 12 00:39:01 2006 From: "Pradipta Bandyopadhyay pradipta+*+iitg.ernet.in" To: CCL Subject: CCL: problem with Monte Carlo in gamess Message-Id: <-31491-060411112124-14366-Q0/ba8ktyANAsLcovOkC6g * server.ccl.net> X-Original-From: "Pradipta Bandyopadhyay" Content-Transfer-Encoding: 8bit Content-Type: text/plain;charset=iso-8859-1 Date: Tue, 11 Apr 2006 20:01:23 +0530 (IST) MIME-Version: 1.0 Sent to CCL by: "Pradipta Bandyopadhyay" [pradipta]-[iitg.ernet.in] I tried your job with a slightly older version of GAMESS. It is running fine. I don't think there is any change in the GLOBOP part in the new versions. Can you try by making NSTEP much smaller (like 5)? Pradipta > Sent to CCL by: Pawel Zawadzki [zawpaw]![soliton.ch.pw.edu.pl] > Dear CCL readers, > I have a problem using GLOBOP option implemented in Gamess. I've tried > modified version of exam30.inp from gamess/tests directory: > $contrl scftyp=rhf runtyp=globop coord=ZMT $end > $system MWORDS=2 $end > $basis gbasis=N31 NGAUSS=6 $end > $GLOBOP XMIN=-30 XMAX=30 YMIN=-30 YMAX=30 ZMIN=-30 ZMAX=-30 > NGEOPT=10 $END > $STATPT NSTEP=100 OPTTOL=0.0005 $END > $data > formamide with three effective fragment waters > C1 > C > O 1 rCO > N 1 rCN 2 aNCO > H 3 rNHa 1 aCNHa 2 0.0 > H 3 rNHb 1 aCNHb 2 180.0 > H 1 rCH 2 aHCO 4 180.0 > > rCO=1.1962565 > rCN=1.3534065 > rNHa=0.9948420 > rNHb=0.9921367 > rCH=1.0918368 > aNCO=124.93384 > aCNHa=119.16000 > aCNHb=121.22477 > aHCO=122.30822 > $end > $efrag > coord=int > fragname=H2ORHF > O1 4 1.926 3 175.0 1 180.0 > H2 7 0.9438636 4 117.4 3 -175.0 > H3 7 0.9438636 8 106.70327 4 95.0 > fragname=H2ORHF > O1 8 1.901 7 175.0 4 0.0 > H2 10 0.9438636 8 110.0 4 -5.0 > H3 10 0.9438636 11 106.70327 8 -95.0 > fragname=H2ORHF > H2 2 1.951 1 150.0 3 0.0 > O1 13 0.9438636 2 177.0 3 0.0 > H3 14 0.9438636 13 106.70327 3 140.0 > $end > The problem is when Gamess enters Monte Carlo search, log file is not > updated and the process doesn't finish. What should I change in input > file? > Thank you very much in advance, > Pawel> > > Dr. Pradipta Bandyopadhyay Assistant Professor Dept. of Biotechnology Indian Institute of Technology, Guwahati Phone: 91-361-258-2213 (office) e-mail: pradipta-.-iitg.ernet.in web: http://202.141.80.5/~pradipta/Pradipta.htm ----------------------------------------------------------------------------------- This email was sent from IIT Guwahati Webmail. If you are not the intended recipient, please contact the sender by email and delete all copies; your cooperation in this regard is appreciated. http://www.iitg.ernet.in From owner-chemistry@ccl.net Wed Apr 12 09:46:01 2006 From: "Rafal A. Bachorz rafal.bachorz_-_chemie.uni-karlsruhe.de" To: CCL Subject: CCL:G: Cube file Message-Id: <-31492-060412065719-17809-8JEhQrscR1FaR/YPzFvZDQ++server.ccl.net> X-Original-From: "Rafal A. Bachorz" Content-Disposition: inline Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-1; format="flowed" Date: Wed, 12 Apr 2006 12:22:06 +0200 MIME-Version: 1.0 Sent to CCL by: "Rafal A. Bachorz" [rafal.bachorz~~chemie.uni-karlsruhe.de] Hi, Normally I proceed in this way: In the first part of input file I put something like this cube=(orbital,100) depending on what you want to have in the cube file (see manual). Then, at the very end of input file you need to put one empty line and something like this a_nh3hcl.cube HOMO where I put the name of cube file and information that HOMO orbital is supposed to be in the cube. Remeber that after this information you need to leave at least one more empty line, otherwise g98 (at least version I use) will complain. Hope it help a bit. Thanks, Rafal. Quoting "Ricky Shen hxhgxy2^_^163.com" : > Sent to CCL by: "Ricky Shen" [hxhgxy2[*]163.com] > Hi, > > I want to calculate a Cube file using Gaussian 98, but it give a > error message and the cube file is not archived. > > Gaussian version: G98 a11 > OS:Redhat Linux 9.0 > Compiler: pgf77,pgf90 > > the error message: > PGFIO-F-217/formatted read/unit=5/attempt to read past end of file. > File name = /localtmp/Gau-16205.inp > formatted, sequential access record = 12 > In source file dencub.f, at line number 366 > > Can you help me to resolve the problem?> > > > From owner-chemistry@ccl.net Wed Apr 12 10:21:00 2006 From: "neeraj misra misraneeraj~!~gmail.com" To: CCL Subject: CCL:G: gaussian 03W Message-Id: <-31493-060412031206-23070-n/KOWzzVose5qS4ByJ7NBQ_-_server.ccl.net> X-Original-From: "neeraj misra" Date: Wed, 12 Apr 2006 03:12:05 -0400 Sent to CCL by: "neeraj misra" [misraneeraj,gmail.com] SINCE I AM NEW TO GAUSSIAN 03 W I AM FINDING IT DIFFICULT TO INTERPRET A VIBRATIONAL FREQUENCY CALCULATION OUTPUT. CAN I GET ANY HELP FROM SOMEWHERE IN INTERPRETING IT.ONE MORE THING HOW TO ANIMATE THE FREQUENCIES SO OBTAINED BY GAUSSIAN 03W. SOS THANKS NEERAJ From owner-chemistry@ccl.net Wed Apr 12 10:55:01 2006 From: "Pawel Zawadzki zawpaw**soliton.ch.pw.edu.pl" To: CCL Subject: CCL: problem with Monte Carlo in gamess Message-Id: <-31494-060412101611-25151-qs7eJe5ZisnjNn415rTyoA.@.server.ccl.net> X-Original-From: Pawel Zawadzki Content-Transfer-Encoding: 7bit Content-Type: text/plain Date: Wed, 12 Apr 2006 16:17:13 +0200 Mime-Version: 1.0 Sent to CCL by: Pawel Zawadzki [zawpaw/./soliton.ch.pw.edu.pl] Thank you for your answer, The job (after changing NSTEP to 5) starts but doesn't stop after considerable amount of time. The same happens if the ab inito region is excluded from the run (by placing MCMIN=.false. in GLOBOP section). Generally, I want to generate a large number of sets of effective fragments by Monte Carlo search and then choose the low-energetic ones in order to do ab inito geometry optimizations. Having optimized structures I could find Hessian of PES (by running HESSIAN job) and get thermodynamical properties. I'll try to get older version of Gamess. Could you suggest other program which do MC search? Pawel > Sent to CCL by: "Pradipta Bandyopadhyay" [pradipta]-[iitg.ernet.in] > > I tried your job with a slightly older version of GAMESS. It is running > fine. I don't think there is any change in the GLOBOP part in the new > versions. Can you try by making NSTEP much smaller (like 5)? > > Pradipta > > > > > Sent to CCL by: Pawel Zawadzki [zawpaw]![soliton.ch.pw.edu.pl] > > Dear CCL readers, > > I have a problem using GLOBOP option implemented in Gamess. I've tried > > modified version of exam30.inp from gamess/tests directory: > > $contrl scftyp=rhf runtyp=globop coord=ZMT $end > > $system MWORDS=2 $end > > $basis gbasis=N31 NGAUSS=6 $end > > $GLOBOP XMIN=-30 XMAX=30 YMIN=-30 YMAX=30 ZMIN=-30 ZMAX=-30 > > NGEOPT=10 $END > > $STATPT NSTEP=100 OPTTOL=0.0005 $END > > $data > > formamide with three effective fragment waters > > C1 > > C > > O 1 rCO > > N 1 rCN 2 aNCO > > H 3 rNHa 1 aCNHa 2 0.0 > > H 3 rNHb 1 aCNHb 2 180.0 > > H 1 rCH 2 aHCO 4 180.0 > > > > rCO=1.1962565 > > rCN=1.3534065 > > rNHa=0.9948420 > > rNHb=0.9921367 > > rCH=1.0918368 > > aNCO=124.93384 > > aCNHa=119.16000 > > aCNHb=121.22477 > > aHCO=122.30822 > > $end > > $efrag > > coord=int > > fragname=H2ORHF > > O1 4 1.926 3 175.0 1 180.0 > > H2 7 0.9438636 4 117.4 3 -175.0 > > H3 7 0.9438636 8 106.70327 4 95.0 > > fragname=H2ORHF > > O1 8 1.901 7 175.0 4 0.0 > > H2 10 0.9438636 8 110.0 4 -5.0 > > H3 10 0.9438636 11 106.70327 8 -95.0 > > fragname=H2ORHF > > H2 2 1.951 1 150.0 3 0.0 > > O1 13 0.9438636 2 177.0 3 0.0 > > H3 14 0.9438636 13 106.70327 3 140.0 > > $end > > The problem is when Gamess enters Monte Carlo search, log file is not > > updated and the process doesn't finish. What should I change in input > > file? > > Thank you very much in advance, > > Pawel> > > > > > > > Dr. Pradipta Bandyopadhyay > Assistant Professor > Dept. of Biotechnology > Indian Institute of Technology, Guwahati > Phone: 91-361-258-2213 (office) > e-mail: pradipta.:.iitg.ernet.in > web: http://202.141.80.5/~pradipta/Pradipta.htm From owner-chemistry@ccl.net Wed Apr 12 11:30:01 2006 From: "Pradipta Bandyopadhyay pradipta[]iitg.ernet.in" To: CCL Subject: CCL: problem with Monte Carlo in gamess Message-Id: <-31495-060412102957-31373-sXSWC3dbpvxYvVTv4UH7+A . server.ccl.net> X-Original-From: "Pradipta Bandyopadhyay" Content-Transfer-Encoding: 8bit Content-Type: text/plain;charset=iso-8859-1 Date: Wed, 12 Apr 2006 19:51:21 +0530 (IST) MIME-Version: 1.0 Sent to CCL by: "Pradipta Bandyopadhyay" [pradipta:iitg.ernet.in] I found the problem (actually Mike Schmidt found it - I showed the problem to him). Your ZMAX should be +30 (now both ZMAX and ZMIN are -30). regards, Pradipta > Sent to CCL by: Pawel Zawadzki [zawpaw]![soliton.ch.pw.edu.pl] > Dear CCL readers, > I have a problem using GLOBOP option implemented in Gamess. I've tried > modified version of exam30.inp from gamess/tests directory: > $contrl scftyp=rhf runtyp=globop coord=ZMT $end > $system MWORDS=2 $end > $basis gbasis=N31 NGAUSS=6 $end > $GLOBOP XMIN=-30 XMAX=30 YMIN=-30 YMAX=30 ZMIN=-30 ZMAX=-30 > NGEOPT=10 $END > $STATPT NSTEP=100 OPTTOL=0.0005 $END > $data > formamide with three effective fragment waters > C1 > C > O 1 rCO > N 1 rCN 2 aNCO > H 3 rNHa 1 aCNHa 2 0.0 > H 3 rNHb 1 aCNHb 2 180.0 > H 1 rCH 2 aHCO 4 180.0 > > rCO=1.1962565 > rCN=1.3534065 > rNHa=0.9948420 > rNHb=0.9921367 > rCH=1.0918368 > aNCO=124.93384 > aCNHa=119.16000 > aCNHb=121.22477 > aHCO=122.30822 > $end > $efrag > coord=int > fragname=H2ORHF > O1 4 1.926 3 175.0 1 180.0 > H2 7 0.9438636 4 117.4 3 -175.0 > H3 7 0.9438636 8 106.70327 4 95.0 > fragname=H2ORHF > O1 8 1.901 7 175.0 4 0.0 > H2 10 0.9438636 8 110.0 4 -5.0 > H3 10 0.9438636 11 106.70327 8 -95.0 > fragname=H2ORHF > H2 2 1.951 1 150.0 3 0.0 > O1 13 0.9438636 2 177.0 3 0.0 > H3 14 0.9438636 13 106.70327 3 140.0 > $end > The problem is when Gamess enters Monte Carlo search, log file is not > updated and the process doesn't finish. What should I change in input > file? > Thank you very much in advance, > Pawel> > > Dr. Pradipta Bandyopadhyay Assistant Professor Dept. of Biotechnology Indian Institute of Technology, Guwahati Phone: 91-361-258-2213 (office) e-mail: pradipta~~iitg.ernet.in web: http://202.141.80.5/~pradipta/Pradipta.htm ----------------------------------------------------------------------------------- This email was sent from IIT Guwahati Webmail. If you are not the intended recipient, please contact the sender by email and delete all copies; your cooperation in this regard is appreciated. http://www.iitg.ernet.in From owner-chemistry@ccl.net Wed Apr 12 12:06:02 2006 From: "Debasis Sengupta dxs++cfdrc.com" To: CCL Subject: CCL:G: [CCL]Re: CCL:G: gaussian 03W Message-Id: <-31496-060412110311-29884-HoDEEnBG54Dl6BhfKvDBdQ**server.ccl.net> X-Original-From: Debasis Sengupta Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=us-ascii; format=flowed Date: Wed, 12 Apr 2006 10:05:03 -0500 MIME-Version: 1.0 Sent to CCL by: Debasis Sengupta [dxs]_[cfdrc.com] You may want to take a course on Molecular Symmetry and Group Theory. This will help you identifying the symmetry of the vibration. However, you can view the animation with free software like Molden, Molekel. There exist a bunch of software that can read G03 file and animate vibration. neeraj misra misraneeraj~!~gmail.com wrote: >Sent to CCL by: "neeraj misra" [misraneeraj,gmail.com] >SINCE I AM NEW TO GAUSSIAN 03 W I AM FINDING IT DIFFICULT TO INTERPRET A VIBRATIONAL FREQUENCY CALCULATION OUTPUT. CAN I GET ANY HELP FROM SOMEWHERE IN INTERPRETING IT.ONE MORE THING HOW TO ANIMATE THE FREQUENCIES SO OBTAINED BY GAUSSIAN 03W. > SOS > THANKS > NEERAJ> > > > > From owner-chemistry@ccl.net Wed Apr 12 12:40:00 2006 From: "Sigismondo Boschi s.boschi.:.cineca.it" To: CCL Subject: CCL: dipole of each molecular orbital Message-Id: <-31497-060412065234-17318-Iwn/6U+fkBBCqp75C0BFnw*_*server.ccl.net> X-Original-From: Sigismondo Boschi Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-1; format=flowed Date: Wed, 12 Apr 2006 11:30:12 +0200 (MEST) MIME-Version: 1.0 Sent to CCL by: Sigismondo Boschi [s.boschi^cineca.it] matthieu soulis mathsou_87 . yahoo.fr wrote: > DipAE= 9.8327911932 0.0038621318 -0.0000000357 > DipAN= -0.0000070000 -0.0000010000 0.0000000000 > DipA= 9.8327841932 0.0038611318 -0.0000000357 > > >My question is: How can a molecule situated in the XY plan have a molecular orbital mini dipole along the z axe??? > > Hi, I would say because of numerical approximations. SCF procedure is converged when relative errors between two different cicles is within 10e-8 (in the strict case). So this is the order of magnitude of the error of most of the observables you get out from your computations. Or at least the observables have a numerical error that is connected with it. Regards, Sigismondo Boschi From owner-chemistry@ccl.net Wed Apr 12 13:46:00 2006 From: "jz7:+:duke.edu" To: CCL Subject: CCL: Database for HIV protease inhibitors Message-Id: <-31498-060412134410-31154-Z3YsMKx9al9LrbT6vUfupQ++server.ccl.net> X-Original-From: jz7::duke.edu Content-Type: TEXT/PLAIN; charset=US-ASCII Date: Wed, 12 Apr 2006 13:44:04 -0400 (EDT) MIME-Version: 1.0 Sent to CCL by: jz7|duke.edu Dear all, I am working on a course project about HIV protease inhibitors. Does anyone know where I can find the data set (structural, charge, and bio-activity imformation) for HIV protease inhibitors? Really appreciate the help! From owner-chemistry@ccl.net Wed Apr 12 14:33:01 2006 From: "Jeff Nauss jnauss]-[accelrys.com" To: CCL Subject: CCL: Database for HIV protease inhibitors Message-Id: <-31499-060412142604-27367-0dm2CA95KKNCZ9XrXWvlkA%server.ccl.net> X-Original-From: Jeff Nauss Content-Type: text/plain; charset="US-ASCII" Date: Wed, 12 Apr 2006 11:25:52 -0700 MIME-Version: 1.0 Sent to CCL by: Jeff Nauss [jnauss[#]accelrys.com] owner-chemistry%%ccl.net wrote on 04/12/2006 10:53:44 AM: > I am working on a course project about HIV protease inhibitors. Does > anyone know where I can find the data set (structural, charge, and > bio-activity imformation) for HIV protease inhibitors? try http://www.niaid.nih.gov/daids/dtpdb/ -- Jeffrey L. Nauss, Ph.D. Lead Training Scientist Accelrys 10188 Telesis Court, Suite 100 San Diego, CA 92121-4779 Phone: +1-858-799-5555 Fax: +1-858-799-5100 http://www.accelrys.com/training From owner-chemistry@ccl.net Wed Apr 12 15:08:01 2006 From: "Jerome Baudry jerome . scs.uiuc.edu" To: CCL Subject: CCL: Calculate NMR Chemical Shielding with Periodic Boundary Conditions ? Message-Id: <-31500-060412150652-17740-7zxWW4preL+cmKa36ykqBw~!~server.ccl.net> X-Original-From: "Jerome Baudry" Date: Wed, 12 Apr 2006 15:06:52 -0400 Sent to CCL by: "Jerome Baudry" [jerome.:.scs.uiuc.edu] Dear list, Does anyone know if there are programs available to calculate (DFT) NMR chemical shielding ***with PBC***, i.e., in crystals ???? I know of Accelrys' NMR Castep in material studio. Is there anything else ? Thanks a lot in advance, Jerome =========================================== Jerome Baudry, Ph.D. Senior Research Scientist University of Illinois at Urbana-Champaign School of Chemical Sciences, Noyes lab 150, Box 2-1. Urbana, IL, 61801 jerome-at-scs.uiuc.edu http://www.scs.uiuc.edu/~jerome/ From owner-chemistry@ccl.net Wed Apr 12 15:50:00 2006 From: "Raymond C. Fort Jr. rcfort!^!maine.edu" To: CCL Subject: CCL: Database for HIV protease inhibitors Message-Id: <-31501-060412151255-22463-iy2iebYC1nhQ5dP7TPRPiQ,server.ccl.net> X-Original-From: "Raymond C. Fort Jr." Content-Type: text/plain; charset="us-ascii"; format=flowed Date: Wed, 12 Apr 2006 14:26:33 -0400 Mime-Version: 1.0 Sent to CCL by: "Raymond C. Fort Jr." [rcfort:+:maine.edu] At 01:56 PM 4/12/2006 -0400, you wrote: >Sent to CCL by: jz7|duke.edu >Dear all, > >I am working on a course project about HIV protease inhibitors. Does >anyone know where I can find the data set (structural, charge, and >bio-activity imformation) for HIV protease inhibitors? > >Really appreciate the help! > http://xpdb.nist.gov/hivsdb/hivsdb.htmlProfessor Ray Fort Jr. rcfort#%#maine.edu Department of Chemistry chemistry.umeche.maine.edu/fort.html University of Maine Voice: (207)-581-1180 Orono, ME 04469 FAX: (207)-581-1191 Computer modeling of organic and biomolecules; chemistry of lignin and cellulose From owner-chemistry@ccl.net Wed Apr 12 16:24:01 2006 From: "Nuno A. G. Bandeira nuno.bandeira _ ist.utl.pt" To: CCL Subject: CCL: Calculate NMR Chemical Shielding with Periodic Boundary Condition Message-Id: <-31502-060412155655-22296-aaDUj9UZEfjEkzLElTdzkQ(-)server.ccl.net> X-Original-From: "Nuno A. G. Bandeira" Date: Wed, 12 Apr 2006 15:56:54 -0400 Sent to CCL by: "Nuno A. G. Bandeira" [nuno.bandeira*_*ist.utl.pt] Jerome Baudry jerome . scs.uiuc.edu wrote: > Sent to CCL by: "Jerome Baudry" [jerome.:.scs.uiuc.edu] > Dear list, > > Does anyone know if there are programs available to calculate (DFT) NMR chemical shielding ***with PBC***, i.e., in crystals ???? I know of Accelrys' NMR Castep in material studio. Is there anything else ? There's CP2K (http://cp2k.berlios.de) and CPMD (http://www.cpmd.org) which I believe can both compute NMR shifts in periodic conditions. Regards, -- Nuno A. G. Bandeira, AMRSC Graduate researcher and molecular sculptor Inorganic and Theoretical Chemistry Group, Faculty of Science University of Lisbon - C8 building, Campo Grande, 1749-016 Lisbon,Portugal http://cqb.fc.ul.pt/intheochem/nuno.html Doctoral student ]*[ IST,Lisbon -- From owner-chemistry@ccl.net Wed Apr 12 17:00:00 2006 From: "M. Nicklaus mn1::helix.nih.gov" To: CCL Subject: CCL: Database for HIV protease inhibitors Message-Id: <-31503-060412161426-28825-K6On1L9veuAbMNKbMh3bNw]_[server.ccl.net> X-Original-From: "M. Nicklaus" Content-Type: TEXT/PLAIN; charset=US-ASCII Date: Wed, 12 Apr 2006 14:46:27 -0400 (Eastern Standard Time) MIME-Version: 1.0 Sent to CCL by: "M. Nicklaus" [mn1 ~ helix.nih.gov] Have you tried the HIV / OI / TB Therapeutics Database at http://chemdb.niaid.nih.gov/struct_search/default.html ? Marc Nicklaus On Wed, 12 Apr 2006, jz7:+:duke.edu wrote: > Sent to CCL by: jz7|duke.edu > Dear all, > > I am working on a course project about HIV protease inhibitors. Does > anyone know where I can find the data set (structural, charge, and > bio-activity imformation) for HIV protease inhibitors? > > Really appreciate the help! From owner-chemistry@ccl.net Wed Apr 12 21:08:00 2006 From: "Guosheng Wu wu_guosheng2002---yahoo.com" To: CCL Subject: CCL: Database for HIV protease inhibitors Message-Id: <-31504-060412181648-21031-5P0hKaxntCC3PP9YY7HOnQ : server.ccl.net> X-Original-From: Guosheng Wu Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=iso-8859-1 Date: Wed, 12 Apr 2006 14:16:46 -0700 (PDT) MIME-Version: 1.0 Sent to CCL by: Guosheng Wu [wu_guosheng2002~!~yahoo.com] Just some comment: it may be fair to say that one needs to be very careful of any kind of charges on atoms from QM or MM calculations. There is no direct experiment data to be compared with, except that some model may have been fitted with experimental electrostatic potentials. Still the charges from theory/computation vary a lot, and many times the signs or weights are even physically wrong! Unfortunately the not-well-defined charges have been abused quite often in the modelling community in various occasions, so it's better to check some of the data carefully before explaining the them to the students. -Guosheng --- "Raymond C. Fort Jr. rcfort!^!maine.edu" wrote: > Sent to CCL by: "Raymond C. Fort Jr." [rcfort:+:maine.edu] > At 01:56 PM 4/12/2006 -0400, you wrote: > >Sent to CCL by: jz7|duke.edu > >Dear all, > > > >I am working on a course project about HIV protease inhibitors. Does > >anyone know where I can find the data set (structural, charge, and > >bio-activity imformation) for HIV protease inhibitors? > > > >Really appreciate the help! > > > > > http://xpdb.nist.gov/hivsdb/hivsdb.htmlProfessor Ray Fort Jr. > rcfort[a]maine.edu > Department of Chemistry chemistry.umeche.maine.edu/fort.html > University of Maine Voice: (207)-581-1180 > Orono, ME 04469 FAX: (207)-581-1191 > > Computer modeling of organic and biomolecules; chemistry of lignin and > cellulose> > > > __________________________________________________ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com