Re: Polarizable force fields

From: Leonardo Trabuco (ltrabuco_at_ks.uiuc.edu)
Date: Fri Apr 27 2007 - 08:34:25 CDT

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On Thu, Apr 26, 2007 at 11:44:13PM -0600, dtmirij wrote:
> Hello everyone,
>
> I just want to double check here. Does NAMD support any polarizable force
> fields (specifically for water). I read in the manual that it does not
> support the AMBER polarizastion schemes, and also that NAMD supports CHARMM
> force fields up to CHARMM 27, and I believe the polarizable force fields in
> CHARMM were added in CHARMM 30.
> Can we run any polarizable force fields in NAMD?

AFAIK, not yet.

Best,
Leo

-- 
Leonardo Trabuco, Ph.D. student
Theoretical and Computational Biophysics Group
University of Illinois at Urbana-Champaign

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