Hi,
My guess would be that you used the same residue number for all your 20 repeat
units.
In that case pdb2gmx find 304 duplicate atoms in a single residue and deletes
them.
Berk
From: xiaowu...@hotmail.com
To: gmx-users@gromacs.org
Date: Sat, 14 Mar 2009 16:06:07 +0800
Subject: [gmx-users]
xiaowu...@hotmail.com wrote:
Dear,
As a small test, I want to simulate polystyene(PS) using GROMACS.
Firstly, I obtain a pdb file of a PS chain consisting of 20 repeating
unit(320 atoms totally ) and add the STY residues to the .rtp files.
while running pdb2gmx, the procedure was
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