deformed water box during equilibration.

From: Dhiraj Srivastava (
Date: Sat Oct 21 2006 - 05:13:35 CDT

Hi all
       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

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:42:43 CST