From: Dhiraj Srivastava (dhirajks_at_gmail.com)
Date: Sat Oct 21 2006 - 05:19:33 CDT
Just updating the information i have given in my previous mail. I have
checked origin and basis vectors of my water box at the end and found that
it has changed to almost 2 A.
On 10/21/06, Dhiraj Srivastava <dhirajks_at_gmail.com> wrote:
> 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
-- Dhiraj Kumar Srivastava Department of Chemistry University of Missouri-Columbia MO, 65211 Ph. no. 001-573-639-0153
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