[gmx-users] box size criterion in high temperature and constant pressure

Mojtaba Alaei malaei at ph.iut.ac.ir
Wed Jan 28 13:56:01 CET 2004

Dear All

Feature of my problem:

There is a peptide and, I want to simulate it in water box. My methode is MD.

At first, The peptide size detrmine the box size (in initialization).

in high temperature(350-400K) and constant pressure, Are there other criterion 

for box size?

Best Regareds

Mojtaba Alaei

IUT HomePage (http://www.iut.ac.ir/)

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