[gmx-users] protein ligand complex MD simulation

[Sajeewa Pemasinghe]

Hi Ashan,

This (from the manual, section 4.3.5)

https://dl.dropboxusercontent.com/u/50317782/distance_restraints_gromacs.png

or this http://www.gromacs.org/Documentation/How-tos/Distance_Restraints

will help.

Best,

Sajeewa


On Thu, Dec 8, 2016 at 5:35 AM, ashan dayananda <ashanchandil at gmail.com>
wrote:

> Dear Researches,
> i'm currently doing a MD simulation of a protein and a ligand.i want to
> restrain the distance of two amino acids in the active site to 4.0
> angstroms. can any one help me to perform this task.
> Thank you
> Regards
> Ashna
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