From: Nikhil Maroli (scinikhil_at_gmail.com)
Date: Thu Oct 22 2015 - 12:15:49 CDT

Dear sir,
i wanted to run MD for only one conformation,so i have pdb of protein and
ligand i created psf for both,sorry for the mistake in the question,so now
could you please tell me what procedure i have to follow
 it will be helpful to get a tutorial
thanks in advance

On Thu, Oct 22, 2015 at 9:38 PM, Richard Wood <Richard.Wood_at_purduecal.edu>
wrote:

> Does one really need a tutorial to do this?
>
>
>
> Richard
>
>
>
> *From:* owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] *On
> Behalf Of *Mayne, Christopher G
> *Sent:* Thursday, October 22, 2015 9:39 AM
> *To:* Nikhil Maroli <scinikhil_at_gmail.com>
> *Cc:* Vmd L <vmd-l_at_ks.uiuc.edu>
> *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.
>
>
>
> Regards,
>
> Christopher Mayne
>
>
>
> On Oct 22, 2015, at 2:40 AM, Nikhil Maroli <scinikhil_at_gmail.com> 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
>
>
>

-- 
Ragards,
Nikhil Maroli