From: Dhiraj Srivastava (dhirajks_at_gmail.com)
Date: Sat Oct 21 2006 - 05:13:35 CDT
I was equilibrating my protein solvated in water box. after several
times of restarting the simulation, i found that the box is looking
deformed. but number of atoms in the system was same as before.
What may be the reason for this? do i need to update cell basis vectors and
origin of "periodic boundary condition" every time i restart the
simulation? i have restarted the simulation almost 8 or 9 times.
Thank you for help.
-- Dhiraj Kumar Srivastava Department of Chemistry University of Missouri-Columbia MO, 65211
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