[gmx-users] Running MDS over docked poses

vivek sharma viveksharma.iitb at gmail.com
Fri Nov 7 09:59:45 CET 2008

 Hi There,
I am trying to run MDS over some docked result generated by Autodock4, but I
am not sure of the forcefield I should use.
If anybody have tried doing it before, please guide me for the same. For
generating topology of ligand, I am using PRODRG server, which has limited
option for forcefield.
Also, how can I give the parameters for varying temperature of a particular
group during the MDS, like how canI define the steps I want to vary it ?

waiting for some suggestion.

With Thanks,
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20081107/9b675fc1/attachment.html>

More information about the gromacs.org_gmx-users mailing list