[gmx-users] N/A

[Jochen Hub]

sangeeta wrote:

>Hi,
>Can anyone suggest me is it possible to carry a minimisation followed by MD 
>simulation in Groamcs in a water box keeping both the ligand and the 
>substrate fixed?The backbone of the protein will also be fixed.
>  
>
You can use position restraints on all molecules you want to fix. Check 
the maual for that.

Cheers, jochen

>regards
>SANGEETA KUNDU
>JUNIOR RESEARCH FELLOW
>BOSE INSTITUTE
>KOLKATA
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-- 
************************************************
Jochen Hub
Max Planck Institute for Biophysical Chemistry
Computational biomolecular dynamics group
Am Fassberg 11
D-37077 Goettingen, Germany
Email: jhub[at]gwdg.de
************************************************