Re: [AMBER] 1-4 EEL

From: Bill Ross <>
Date: Thu, 15 Apr 2010 07:56:47 -0700 (PDT)

> Is the large 1-4eel value, due to net charge not
> being close to zero (0.00006)?

Unlikely. You should send your energies so we can see what
you are talking about. Possibly there is a mistake in your
charge derivation. Have you tried simulating your ligand
by itself?


AMBER mailing list
Received on Thu Apr 15 2010 - 08:00:04 PDT
Custom Search