[gmx-users] Targeted Energy Minimization

Yao Yao yao0o at ymail.com
Fri Nov 5 06:53:05 CET 2010


Hi Gmxers,
Is that possible that in mdp file, only a specifically-targeted part inside/of the protein is energy minimized (EM)? Like, just wanna EM the ligand or one out of the two proteins in protein-docking.
Thanks in advance,
Yao


      
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20101104/685b3145/attachment.html>


More information about the gromacs.org_gmx-users mailing list