AMBER Archive (2006)

Subject: AMBER: Acetone box

From: SERGIO MIGUEL FERNANDES DOS SANTOS (a26175_at_alunos.dq.ua.pt)
Date: Tue Nov 14 2006 - 12:34:24 CST


Dear Amber users

I am currently performing simulations with acetone. I
would like to know if there is anyone that would be kind
enough to provide an acetone frcmod file, and, if
possible, an equilibrated box (for either united atoms or
full atoms model). The force field that is being employed
is the GAFF force field.

Thank you for your attention.
SÚrgio Santos

========================
SÚrgio M. Santos
a26175_at_alunos.dq.ua.pt
University of Aveiro
Portugal
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