[gmx-users] RE: how to fix molecules and give different temperature

Vitaly Chaban vvchaban at gmail.com
Wed Jul 16 18:52:42 CEST 2008

> How to give different and fixed temperature to fixed molecules?

Do fixed molecules have a temperature? What temperature is in fact?

To fix a part of the system in gromacs you should use the key
'comm-grps'. Read the manual, please.

To assign different temperatures to different objects you should read
about using groups in gromacs.


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