AMBER Archive (2009)

Subject: Re: [AMBER] enquiry regarding parameter file to be used

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Mon Nov 16 2009 - 05:40:49 CST

we need more information.

On Sat, Nov 14, 2009 at 12:52 AM, bharat lakhani <lakhbharat_at_gmail.com>wrote:

> I am using .ff99 force field parameter.
>
> On 11/13/09, Carlos Simmerling <carlos.simmerling_at_gmail.com> wrote:
> >
> > the energy keeps going down- I suspect a problem with your force field
> > parameters. perhaps you could tell people how you generated the
> parameters.
> >
> > On Fri, Nov 13, 2009 at 8:35 AM, bharat lakhani <lakhbharat_at_gmail.com
> > >wrote:
> >
> > > please find the attachment
> > > parameter thats been used for this system
> > > ncyc=500
> > > igb=5
> > > cut=999
> > > still minimisation not working.
> > > Revert please.
> > >
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