Re: amber-developers: Junmei weighs in on torsions

From: Carlos Simmerling <>
Date: Thu, 30 Jun 2005 14:11:41 -0700

asim says that the code on your web page doesn't compile,
can you get us an updated one? everyone tells me that we only have
a binary for the clustering version.

Thomas E. Cheatham, III wrote:

>> I've attached an updated "parm99.dat.new2", which puts in explicitly a
>> zero-force-constant three-fold term along with the one-fold term, to
>> prevent
>> (I hope!) the "copy" problem from getting confused. We should test
>> this to
>> see what it produces under various circumstances.
> FYI, I just tested this (parm99.dat.new2) with Ross's simple nuc.pdb
> system that I reported results on yesterday and now we get consistent
> results before and after the copy that match the original PLEP/ LEaP
> pre-copy results exactly.
> --tom

Carlos L. Simmerling, Ph.D.
Associate Professor           Phone: (631) 632-1336
Center for Structural Biology Fax:   (631) 632-1555
Stony Brook University        Web:
Stony Brook, NY 11794-5115    E-mail:
Received on Wed Apr 05 2006 - 23:49:54 PDT
Custom Search