VMD-L Mailing List

From: Maximilian Ebert (m.ebert_at_umontreal.ca)
Date: Wed Feb 27 2013 - 15:54:51 CST

Hi Sindrila,

I was looking for the same recently and came across this post:

http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/12594.html

The script works perfectly!

Hope it helps,
Max

Dipl.-Ing. Maximilian Ebert

Étudiant au doctorat en biochimie
Laboratoire du Dr. Joelle Pelletier
Université de Montréal

m.ebert_at_umontreal.ca

On 2013-02-27, at 11:22 AM, John Stone <johns_at_ks.uiuc.edu> wrote:

> Hi,
> There isn't a built-in feature for this, but there should be many other
> tools out there that can do such a calculation. I would suggest looking
> at the Gromacs suite and see if they have an analysis program that can
> do that calculation.
>
> Cheers,
> John
>
> On Tue, Feb 26, 2013 at 12:49:10PM +0530, Sindrila Dutta Banik wrote:
>> Dear all,
>>
>> I have a question regarding B-factor. Can I compute B-factor from the
>> trajectory using VMD?
>>
>> Please let me know.
>>
>> With best regards
>> sindrila
>> --
>> Sindrila Dutta Banik
>> C/O Prof. A. Chandra
>> Project Scientist
>> Department of Chemistry
>> IIT Kanpur
>> UP 208016
>
> --
> NIH Center for Macromolecular Modeling and Bioinformatics
> Beckman Institute for Advanced Science and Technology
> University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
> http://www.ks.uiuc.edu/~johns/ Phone: 217-244-3349
> http://www.ks.uiuc.edu/Research/vmd/ Fax: 217-244-6078