AMBER Archive (2006)

Subject: Re: AMBER: GBSA implicit chloroform

From: Adrian Roitberg (
Date: Wed Nov 01 2006 - 11:22:14 CST 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
> >
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 ============================================================================

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