VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Oct 03 2016 - 15:42:23 CDT
Looking online, the Dowser manual refers to LJ parameters being stored in
a file called "atomparms.db" that is part of the dowser installation.
I think you'll need to dig into the documentation and/or the guts of
the Dowser code if you want to make significant changes to the
solvents it places.
On Fri, Sep 30, 2016 at 12:32:10AM +0300, nikolaev_at_spbau.ru wrote:
> I want to add a new residue parameters to dowser, however, I couldn't
> understand what forcefield does it use. I tried to compare the ALA params
> with any of forcefield params and I couldn't find any matching numbers.
> Where should I find the right parameters?
> Thank you in advance,
-- 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/