Pressure related issue

From: Anirban Ghosh (anirbang_at_cdac.in)
Date: Wed Oct 15 2008 - 08:23:29 CDT

Hi ALL,

I am trying to simulate a CG system using NAMD. I using implicit solvent
condition along with Periodic Boundary Condition and Particle Mesh Ewald.
However, when I am using a constant pressure condition (which is
recommended for PBC), my simulation is getting stopped saying "Box size is
too small". Bu on removing the constant pressure condition, the simulation
is running fine.
So is it good to run the simulation using PBC but without constant
pressure condition?
Thanks.

Regards,

-- 
Anirban Ghosh
Grade Based Engineer
Bioinformatics Team
Scientific & Engineering Computing Group
Centre for Development of Advanced Computing
Pune, India

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