CCL: simulation



 Sent to CCL by: Rick Venable [venabler]*[nhlbi.nih.gov]
 Procedural details tend to be somewhat specific to the program being being
 used.  Major academic simulations packages such as AMBER, CHARMM, GROMOS or
 GROMACS, and NAMD each have their own respective web sites and/or mailing
 lists for questions of this nature.
 AMBER   amber.scripps.edu
 CHARMM  www.charmm.org
 GROMOS  www.igc.ethz.ch/gromos/
 GROMACS www.gromacs.org
 NAMD    www.ks.uiuc.edu/Research/namd/
 --
 Rick Venable     5635 FL/T906
 Membrane Biophysics Section
 NIH/NHLBI Lab. of Computational Biology
 Bethesda, MD  20892-9314   U.S.A.
 (301) 496-1905   venabler AT nhlbi*nih*gov
 On 9/14/07 8:01 AM, "Nahren Mascarenhas meetnahren,yahoo.com"
 <owner-chemistry:+:ccl.net> wrote:
 >
 > Sent to CCL by: "Nahren  Mascarenhas" [meetnahren-#-yahoo.com]
 > Dear CCL Members,
 >
 > I have just started to work on simulation studies.
 > I want to know the exact procedure for performing the same.
 > I have used the following:
 > 1000 steps of Steepest Descent Minimization
 > 1000 steps equiliberation at 300 K
 > followed by 150 ps simulation
 >
 >
 > your advise and suggestions will help me a lot
 >
 > nahren>