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

[Vitaly Chaban]

> 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.

Best,
Vitaly