[gmx-users] puting things in

[Itamar Kass]

Hi all,

I have a system which composed of four peptides, lipids and water. 
During the simulation one of the peptides crosses the boundaries to the 
other side of the bilayer, such that at the end of the simulation I have 
one peptide at the upper left side of the bilayer, two at the upper 
right side and one bellow the bilayer.

I know this is not a real problem, but I wish to cut the box now that I 
don't need all the space in order to save CPU time. I wonder if anyone 
know how to help the lost peptide to find his beloved friends again.

I tried most of the stuff on the mailing list and more without any success.

Thanks all,
Itamar
-- 
"Prediction is very difficult, especially about the future" - Niels Bohr

===========================================
| Itamar Kass, Ph.D.
| Postdoctoral Research Fellow
|
| Molecular Dynamics Group
| School of Molecular and Microbial Sciences (SMMS)
| Chemistry Building (#68)
| The University of Queensland
| St. Lucia Campus, Brisbane, QLD 4067
| Australia
|
| Tel: +61 7 3365 9922
| Fax: +61 7 3365 3872
| E-mail: ikass at uq.edu.au
| Web page: http://compbio.chemistry.uq.edu.au/md/ikass/
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