From: Richard Wood (
Date: Thu Oct 22 2015 - 11:08:44 CDT

Does one really need a tutorial to do this?


From: [] On Behalf Of Mayne, Christopher G
Sent: Thursday, October 22, 2015 9:39 AM
To: Nikhil Maroli <>
Cc: Vmd L <>
Subject: Re: vmd-l: Topology for drugs to do MD after docking

For this reason, among others, docking + MD is not such a common approach, and we do not have any tutorials covering it.

Christopher Mayne

On Oct 22, 2015, at 2:40 AM, Nikhil Maroli <<>> wrote:

Thank you Christopher,
i have another doubt ,i wanted to do MD after docking so should i make one pdb and psf for receptor+ligand or there is any other ways ?
is there any tutorial or information how to do MD after docking?
thanks in advance