VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Jul 24 2012 - 11:36:44 CDT

Hi,
  I asked my colleague David Hardy about this, as he has been
the main force in adding support for Drude to NAMD. David
indicated that psfgen has not yet been updated to support
Drude, but that he can give you some alternatives that would
likely help you get up and running. I've CCed David on this
email so that you can discuss further.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Tue, Jul 24, 2012 at 11:19:03AM -0500, Ganesh Kamath wrote:
> Hi Folks,
>
> Can we generate the psf for Drude polarizable water model using psfgen
> in vmd?
>
> thanks,
> ganesh 

-- 
NIH Resource 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