VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Mar 01 2006 - 09:50:47 CST

Ivana,
  I wasn't aware that CHARMM could do PB calculations. What file format(s)
does it save the potential grid into? Do you have a link to any documentation
on this? I can tell you if we can load results from CHARMM after I know more
about the file format(s) CHARMM supports for PB calculations.

  John Stone
  vmd_at_ks.uiuc.edu

On Wed, Mar 01, 2006 at 10:43:15AM -0500, ivana adamovic wrote:
> Dear John,
>
> Thanks a lot for your e-mail.
>
> I just wanted to check one other possibility: can VMD read in
> (visualize) electrostatic potential generated by CHARMM ? I am just
> more familiar with CHARMM than with APBS, so that is the reason for my
> question.
>
> Thanks a lot,
>
> Ivana 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
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