[gmx-users] How to fix Water during simulation ?

ajani haresh ajaniharesh at gmail.com
Thu Mar 29 16:19:21 CEST 2012

Hello Everyone,

I am new in Gromacs. I am using gromacs for protein-ligand complex.

I have few question  ?

1): how to fix water during simulation ?

2): how to fix protein and ligand during simulation ?

3) how to fix few crystal water molecule during simulation  ?

4) how to fix specific water molecule  in simulation ?

Thanks in advance.

Haresh Ajani
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