VMD-L Mailing List

From: Charles McCallum (mmccallum_at_pacific.edu)
Date: Fri Aug 18 2006 - 10:23:57 CDT

You can certainly use VMD to generate CMAP PSF files for Charmm, for
example, by selecting the correct topology file.

Cheers,

Mike

On Aug 17, 2006, at 9:43 PM, John Stone wrote:

>
> Hi,
> VMD has been reading the various types of extended CHARMM format
> PSF files for some time. The extra CMAP information isn't presently
> used by VMD, but you can certainly load these files just as you've
> always
> loaded PSF files into VMD without any problem. As far as I know,
> the PSF plugin in VMD correctly reads all existing variations of the
> PSF format. If anyone finds one that it won't read, let me know.
>
> Thanks,
> John Stone
> vmd_at_ks.uiuc.edu
>
> On Thu, Aug 17, 2006 at 07:17:26PM -0500, L. Michel Espinoza-
> Fonseca wrote:
>> Hi John,
>>
>> I just heard that the new version of NAMD already supports the CMAP
>> correction. I was wondering if the latest version of VMD can read
>> such
>> parameters as well.
>>
>> Thanks!
>>
>> Michel
>
> --
> NIH Resource for Macromolecular Modeling and Bioinformatics
> Beckman Institute for Advanced Science and Technology
> University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
> Email: johns_at_ks.uiuc.edu Phone: 217-244-3349
> WWW: http://www.ks.uiuc.edu/~johns/ Fax: 217-244-6078 

--
C. Michael McCallum           http://www.pacific.edu/college/ 
chemistry/McCallum/cmccallum.html
Associate Professor
Department of Chemistry, UOP
mmccallum .at. pacific .dot. edu                (209) 946-2636 v  /  
(209) 946-2607 fax