From chemistry-request@ccl.net Fri Jun  7 03:25:39 1991
Date:         Fri, 07 Jun 91 14:37:01 SST
From: Chin Wee-Shong <RP83115%NUSVM.BITNET@OHSTVMA.ACS.OHIO-STATE.EDU>
Subject:      CHAIN procedure in AMPAC2
To: Computational Chemistry List <CHEMISTRY@ccl.net>
Status: R

Hi,

Has  anyone used the CHAIN procedure in AMPAC 2.1 to determine
transition state before ?
I put in structure for the guessed transition state, reactant and
the product, calculation was aborted with statement like : TIME OR
CYCLES EXCEEDED,.... though I have used T=nnn and CYCLES=nnn to
increase both time and cycles. Is there any way to overcome this ?

Thanks,

Wee-Shong

From chemistry-request@ccl.net Fri Jun  7 15:49:22 1991
Date: Fri, 7 Jun 91 15:15 EST
From: "DOUGLAS A. SMITH" <FAX0236@uoft02.utoledo.edu>
Subject: question
To: chemistry@ccl.net
Status: R

Here is a teaser which I hope will not offend anyone.  What 
companies are interested in funding software development which
is occurring in academia (such as in my group)?  Who would I get
in touch with at various vendors?

Doug Smith
Assistant Professor of Chemistry
The University of Toledo
Toledo, OH  43606-3390

voice    419-537-2116
fax      419-537-4033
email    fax0236@uoft02.utoledo.edu