Re: [AMBER] N- and C- terminals constant PH simulation

From: Jason Swails <>
Date: Wed, 11 Nov 2015 08:23:58 -0500

On Wed, Nov 11, 2015 at 4:16 AM, Hadeer ELHabashy <> wrote:

> If not, is it possible to run the terminals at different but fixed
> protonation states using GROMOS force field with AMBER/sander or
> AMBER/pmemd

‚ÄčNo, it won't be possible. Amber does not support the GROMOS functional
form (for example, GROMOS uses quartic bonds, whereas Amber only supports
harmonic bonds).


Jason M. Swails
Rutgers University
Postdoctoral Researcher
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Received on Wed Nov 11 2015 - 05:30:09 PST
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