Thanks. I am not sure how this addresses my problem. I am getting "broken" structure at the end of the MD (in confout.gro), and want to be sure that GMX treat it correctly during the MD. --Omer.
Koby Levy research group, Weizmann Institute of Science. http://www.weizmann.ac.il/sb/faculty_pages/Levy/ On Sun, Jun 21, 2009 at 13:42, Tsjerk Wassenaar <[email protected]> wrote: > To check your periodicity use genconf: > > genconf -f in.pdb -o out.pdb -nbox 2 2 2 >
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