Re: AMBER: GBSA implicit chloroform

From: Adrian Roitberg <roitberg.qtp.ufl.edu>
Date: Wed, 01 Nov 2006 12:22:14 -0500

nadiav.soton.ac.uk wrote:
> Dear Amber users,
>
> I can see how to run a simulation with implicit solvation, but only with
> water. I understand that Amber has Chloroform parameters for explicit
> solvation but
>
> Is it possbile to use Chloroform or other solvents in GBSA apart from water
> and how?
>
> Thank you in advance for your help
>
> Nadia Vahdati
> >
Nadia,
please check the amber reflector archives. There was a discussion of
something like this about a month ago. 

-- 
                            Dr. Adrian E. Roitberg
                              Associate Professor
               Quantum Theory Project and Department of Chemistry
University of Florida                         PHONE 352 392-6972
P.O. Box 118435                               FAX   352 392-8722
Gainesville, FL 32611-8435                    Email adrian.qtp.ufl.edu
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Received on Sun Nov 05 2006 - 06:07:11 PST
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