VMD-L Mailing List
From: Neelanjana Sengupta (senguptan_at_gmail.com)
Date: Tue Dec 12 2006 - 14:39:13 CST
- Next message: Dan Wright: "Re: Question about RMSD calculator"
- Previous message: Peter Freddolino: "Re: Calculating changes"
- In reply to: Juan Diaz: "Correlation Functions"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
Just write out your stuff into a data file, and write a code (in your
favorite programming language) to calculate the time corr. fn. with shifting
time origins. I think this is the most straightforward way to do it.
On 12/12/06, Juan Diaz <jd2006_at_latinmail.com> wrote:
>
>
> Hello all,
>
> How do you obtain the correlations functions for a MD simulation carried
> out in NAMD? Is it necessary to prepare a tcl file ?? or Is possible to do
> this using VMD ? I have tried to use VMD but I haven't found any useful tool
> for this. I am new with the software.
>
> Thanks for yours suggestions,
>
>
> Juan
>
> ¡Miles de amigos con tus mismas aficiones! http://www.latinchat.com
>
-- **************************************** Neelanjana Sengupta, PhD student Dept. of Chemistry Univ. of California-Irvine Irvine, CA 92697 USA Phone: 1-949-824 9921 email: sengupta_at_uci.edu ****************************************
- Next message: Dan Wright: "Re: Question about RMSD calculator"
- Previous message: Peter Freddolino: "Re: Calculating changes"
- In reply to: Juan Diaz: "Correlation Functions"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]