AMBER Archive (2004)

Subject: Re: AMBER: ptraj questions

From: Oliver Hucke (ohucke_at_u.washington.edu)
Date: Wed Dec 01 2004 - 11:59:06 CST

Carlos Simmerling wrote:
> I think nofit is broken, so overlap of 1 residue will always be small.
>

So, "nofit" should not be used at all? Is this valid for ptraj of amber8?

Thanks,
Oliver

________________________________________________________________

Oliver Hucke, Dr.
Biomolecular Structure Center Health Sciences Building - K418C
Dept. of Biochemistry 1959 NE Pacific St.
University of Washington phone: (206) 685 7046
Box 357742 fax : (206) 685 7002
Seattle, WA 98195-7742 email: ohucke_at_u.washington.edu
________________________________________________________________

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