[gmx-users] [Fwd: ion position]

[David van der Spoel]

-----Forwarded Message-----

From: muthu12 <muthu12 at cox.net>
To: spoel at xray.bmc.uu.se
Subject: ion position
Date: 30 Jan 2003 08:19:12 -0800

for cytochromec I find the positions for 7 cl ions. How can I add the ions in the topology file.
I rerun the pdb2gms with added ions in the PDB file. During the simulation I get fatal error message
ci=-214748368  0 .. 1039  at nsgrid.c line 210
Do you have any example for running simulation after addition of ions
Thank you
Prabhakaran
-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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