AMBER Archive (2009)

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

From: bharat lakhani (lakhbharat_at_gmail.com)
Date: Fri Nov 13 2009 - 23:52:58 CST

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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