From: santanu chatterjee (santanu_c10_at_yahoo.co.in)
Date: Wed May 24 2006 - 16:32:49 CDT
Dear NAMD users,
I am planning to simulate a box of water (with no
less than 1000 atoms) using NAMD. I would like to use
SPC/E water model. I have input files (PDB, PSF, PAR)
which has 216 water molecule. Is there any way to make
this box bigger with more water molecules with VMD
and/or psfgen? Also, I dont know if I can generate psf
file for water using psfgen. As far as I know, psfgen
does not recognize any non-amino acid type of residue.
If anybody knows any way of doing this, I will
appreciate very much if you could share your
knowledge.
Santanu
Send instant messages to your online friends http://in.messenger.yahoo.com
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:43:38 CST