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

[Mojtaba Alaei]

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

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