Argon solvent

From: Gianni De Fabritiis (
Date: Tue Feb 17 2004 - 09:55:02 CST

Dear all,
to start with NAMD I would like to set up a simple Argon box in periodic
boundary conditions with NAMD. For what I understand Argon is not in the
parameter file.
The simplest things to do is probably to write directly the pdb, psf and
parameter files for it, but can I just use reduced units in this case?

If i want to add a peptide in the simulation, I would have to use again the
complete parameter file etc, solvate, psfgen, etc. Any suggestion on how to
do have a Argon solvent using psfgen?

Many thanks,

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:37:21 CST