AMBER Archive (2006)

Subject: Re: AMBER: GBSA implicit chloroform

From: Adrian Roitberg (roitberg_at_qtp.ufl.edu)
Date: Wed Nov 01 2006 - 11:22:14 CST

nadiav_at_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_at_qtp.ufl.edu
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