AMBER Archive (2003)

Subject: How to do a rigid solvent model?

From: Marco Aurelio Correia Preto (mcpreto_at_fc.up.pt)
Date: Fri Jul 04 2003 - 09:30:00 CDT

Dear Amber users:

We are doing some molecular dynamic runs of small non-standart peptides (in water) and we would like to do the smae dynamics in other solvents! There are a couple of potential for organic solvents, but some of them are rigid one! How can we do this in Amber (version 6 is the one we have)? Can we use very large force constants to force a rigid conformation?

Thanks for all your kind attention.

Sincerely yours

Marco A. C. Preto

PH. D. Student
FCUP - theoretical chemistry depart.
Porto - Portugal