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

From: Jason Swails <jason.swails.gmail.com>
Date: Wed, 11 Nov 2015 08:23:58 -0500

On Wed, Nov 11, 2015 at 4:16 AM, Hadeer ELHabashy <
hadeer.elhabashi.gmail.com> 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).

HTH,
Jason

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