[gmx-users] Fwd: problem with FES4 cluster

Tsjerk Wassenaar tsjerkw at gmail.com
Wed Jun 3 09:54:16 CEST 2009


I am not a helpdesk or mailing list, if I had had the answer, I would
have replied on the mailing list already. Then, if you feel it is
appropriate to send a mail to someone you don't know, at least take
the effort to write a complete message.


---------- Forwarded message ----------
From: subarna thakur <thakur.subarna at yahoo.co.in>
Date: Wed, Jun 3, 2009 at 9:34 AM
Subject: problem with FES4 cluster
To: tsjerkw at gmail.com

I am facing a problem with a protein with Ferro sulphur cluster
(FS4),I am unable to construct the .gro file with pdb2gmx command. How
do i construct the topology file of the ligand and where do I add the
appropriate definitions for the bonds, angles, dihedrals, pairs, etc.

Subarna Thkaur

Ph.D Student

University of North Bengal

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Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623

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