VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Thu Oct 22 2015 - 12:39:04 CDT

On Thu, Oct 22, 2015 at 12:08 PM, Richard Wood <Richard.Wood_at_purduecal.edu>
wrote:

> Does one really need a tutorial to do this?
>

​apparently so.

if you look a bit around various mailing lists, people are asking with
increasing frequency for *detailed* and *specific* step-by-step
instructions for ​their research. almost as if they don't have advisers,
instructors or more experienced colleagues. at the current rate it is just
a matter of time until somebody will require a (detailed and step-by-step)
tutorial for wiping his/her butt...

​axel.​

>
>
> 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
>
>
> 

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.