[gmx-users] atom type parameters
mark.abraham at anu.edu.au
Tue Sep 14 04:45:06 CEST 2010
----- Original Message -----
From: Ramachandran G <gtrama at gmail.com>
Date: Tuesday, September 14, 2010 12:39
Subject: [gmx-users] atom type parameters
To: gmx-users at gromacs.org
> Dear gmx-users:
> I am trying to get the topology for a chromophore exist in the Green fluoresent protein. Although to some extent i got success in building the parameters in the 'ff*.rtp' file,
> i got struck in building 'atom type parameter' ( ff*.atp). I am trying to use Charmm force field. Can anyone help me. Thank you.
Your request is a bit open-ended... You will need a thorough knowledge of chapter 5 of the manual. People may be able to help you if you show what you did, explain what you wanted and why you think it didn't work.
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