From: Jerome Henin (jhenin_at_cmm.chem.upenn.edu)
Date: Tue Oct 24 2006 - 10:18:20 CDT
Don't use a flexible cell.
On Monday 23 October 2006 22:40, Dhiraj Srivastava wrote:
> Hi all
> I am heating my system (protein solvated in water box) after energy
> minimization to 300 K. but after heating, i am getting a deformed water
> box. In my configuration file, i am using Periodic Boundary condition and
> wrapall on still i am getting deformed box. is this deformation of water
> box is related to heating or is there any problem in my configuration file?
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