AMBER Archive (2004)

Subject: Re: AMBER: user force

From: myunggi_at_csit.fsu.edu
Date: Thu Jul 22 2004 - 16:48:28 CDT

Thank you Kristina,

Actually, I want to add my own function to amber force field.
Can we do that?

Quoting "Furse, Kristina Elisabet" <kristina.e.furse_at_vanderbilt.edu>:

> Check out the NMR-style restraints in the manual--input flag nmropt=1.
> Good luck!
> Kristina
>
> Quoting Myunggi Yi <myunggi_at_csit.fsu.edu>:
>
> > Dear users,
> >
> > Would somebody let me know how to add my own force to amber force?
> > I'd like to impose a restraint to get Umbrella sampling for PMF.
> > Have a great day.
> >
> > --
> > Best wishes,
> >
> > Myunggi Yi
> > ==========================================
> > KLB 419
> > Institute of Molecular Biophysics
> > Florida State University
> > Tallahassee, FL. 32306
> >
> > (850) 645-1334
> > http://www.csit.fsu.edu/~myunggi
> >
> >
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>
>
> -----------------------------------------------------------------
> Kristina E. Furse
> Department of Chemistry
> Center for Structural Biology
> Vanderbilt University
> Email: kristina.e.furse_at_Vanderbilt.Edu
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
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