On Tue, 22 Apr 2008 14:14:19 -0700
"Ilya Chorny" <[EMAIL PROTECTED]> wrote:
Hello,
I am simulating a trimer in a membrane. In one of my simulation two of the
monomers are on one side of the box and the other monomer is on the other
side of the box. I tried using trjconv to center the whole thing in the
center of my simulation cell but have failed miserably. I also searched
around for about an hour and could not find anything.
I use trjconv -f *.gro -s *.tpr -center rect -pbc whole -o *.gro.
first run
trjconv -pbc nojump
Any advice?
Thanks,
Ilya
--
Ilya Chorny Ph.D.
-----------------------------------------------------
XAvier Periole - PhD
NMR & Molecular Dynamics Group
University of Groningen
The Netherlands
http://md.chem.rug.nl/~periole
-----------------------------------------------------
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