Re: [AMBER] ATP minimization

From: FyD <fyd.q4md-forcefieldtools.org>
Date: Wed, 22 Feb 2012 18:49:59 +0100

Dear Sangita Kachhap,

> I am minimizing ATP binding protein having bound ATP. I have
> generated parameter for ATP.
> protein structure getting minimized but ATP purine getting
> distorted. Can anyone
> please help me to solve this.

You might compare your parameters with these available in R.E.DD.B.
See http://q4md-forcefieldtools.org/REDDB/projects/F-90/
  & http://q4md-forcefieldtools.org/REDDB/projects/F-91/

regards, Francois



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Received on Wed Feb 22 2012 - 10:00:02 PST