[gmx-users] [Fwd: genion doubt]
Mark.Abraham at anu.edu.au
Tue May 29 07:07:47 CEST 2007
Please keep traffic on the mailing list.
I don't have any suggestion to make that you can't find for yourself
with genion -h.
-------- Original Message --------
Subject: genion doubt
Date: Tue, 29 May 2007 10:24:53 +0530
From: TK.Jiji <jiji.tk at mgl.com>
To: Mark Abraham <mark.abraham at anu.edu.au>
I had one doubt ...
i had run the command below
"genion -s fws_em.tpr -o fws_ion.pdb -nname CL- -nn 2 -g fws_ion.log "
But it is taking too much time to do this
showing command as
"Replacing solvent molecule 472 (atom 1747) with CL- "
More information about the gromacs.org_gmx-users