AMBER Archive (2002)

Subject: help on parameters.

From: X. Tan (xjtan_at_u.washington.edu)
Date: Mon Feb 04 2002 - 19:40:52 CST

Dear amber users,

Is there anyone has the experience to do some free energy perturbation
between the carboxylic acid and its carboxylate anion? I'd like to know
the reliability of this kind of calculation. Also is there any parameters
for carboxylic acids, their anions, nitrobenzen and benzencarboxylate
anion? Thanks a lot.

Xiaojian Tan