[gmx-users] [Fwd: ion position]

David van der Spoel spoel at xray.bmc.uu.se
Thu Jan 30 20:14:54 CET 2003

-----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
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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