[gmx-users] Fwd: problem with FES4 cluster
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.
University of North Bengal
Cricket on your mind? Visit the ultimate cricket website. Enter now!
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
3584 CH Utrecht
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