From: Gianni De Fabritiis (gianni.defabritiis_at_tiscali.it)
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,
GDF
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