Subject: Dielectric Constant Gradient

From: [email-masked] (ooms)
Date: Wed, 22 May 1996 14:45:53 +0200

Dear readers,
We are trying to modelise  a GPCR(dopaminergic) by molecular mechanics and
molecular dynamics.
We would like to perform the calculations with the DC corresponding to the
biological medium surrounding this type of proteins. Unfortunately, we
didn't find any informations on this topic.
Another solution would be to perform the calculations with a DC gradient.
We wonder if the Discover program from Biosym/MSI can perform this type of
job or if there are another molecular mechanics and molecular dynamics
packages which could perform this type of study.
We will summarize all the answers.
Best regards,
Audrey

---------------------------------------
Ooms Frederic
Faculte Universitaire Notre-Dame de la Paix
Laboratoire de Chimie Moleculaire Structurale
Rue de Bruxelles 61
B-5000 Namur (BELGIUM)
Tel : 32(81) 724569 - Fax : 32(81) 724530
e-mail :[email-masked]