[gmx-users] Re : keeping the protein in the centre of the simulation box.

Justin A. Lemkul jalemkul at vt.edu
Mon Apr 19 18:02:48 CEST 2010

bharat gupta wrote:
> Hi all ,
> I have performed a 3ns simulation and after that I have found that the
> protein has moved out of the simulation box. Can anybody tell how can
> I fix this problem without performing the simulation again ..
> Thanks

One of the most commonly-asked non-problems across this list...




Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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