[gmx-users] questions in Running MDS over docked poses

vivek sharma viveksharma.iitb at gmail.com
Mon Nov 10 11:56:35 CET 2008

Hi There,
I am running MDS over the docked poses to check the stability of the docked
poses using gromacs.
I have few doubts about selecting parameters for the same, If anybody have
tried such thing earlier, please suggest me for the same.

Should I keep pressure coupling over the simulation ?
For how long should I run the simulation for such purpose ?

Waiting for suggestions.

With Thanks,
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