Re: AMBER: PME and counter ions

From: Bill Ross <>
Date: Tue, 18 Dec 2007 10:36:38 -0800 (PST)

> We are simulating a protein of ~7500 residues using PME with pmemd. It
> is quite negatively charged, so we added ~250 counter ions (Na+) with
> the Leap (function addIons). The protein is really unstable, which is
> not what we expected.

Did you add water too?

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Wed Dec 19 2007 - 06:07:32 PST
Custom Search