Thanx Mark.
I understand that I have to change the residue names. But
how to generate them. Is there any software by which I can generate or any
sequence by which I may change them..
________________________________
From: gmx-users-boun...@gromacs.org [gmx-users-boun...@gromacs.org] on behalf
of Mark Abraham [mark.abra...@anu.edu.au]
Sent: Tuesday, January 24, 2012 3:19 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] a query
On 24/01/2012 8:32 PM, Anik Sen wrote:
Hello Anik here.
I think its a silly question but, could not stop to ask as its between me and
my gromacs job.
I am using gromacs 4.5.5. I want to run a dynamics run with DNA. I made a pdb
file from vmd software. But the residue file its showing is "MOL". There is no
residue type named mol. So what will be the residue files for DNA. Please
suggest.
Your input to pdb2gmx needs to use residue names that match the .rtp file for
your force field. Either generate it with them, or edit them in afterwards.
Mark
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