configuration files

From: Michael Grabe (mgrabe_at_itsa.ucsf.edu)
Date: Wed Nov 19 2003 - 16:38:24 CST

Dear Users,

Does anyone have an example psf file that is setup
for an alchemical free energy perturbation calculation?

Moreover, does anyone have a FULL sample configuration
file for such a run. The ones on the web and in the user guide
are partial; they only include the FEP portion, and I would like
to see an example of a full file that runs?

Thanks,
Michael
------------------------------------------------------------------------
--------------------------
Michael Grabe, Ph.D.
Post-doctoral Fellow
Howard Hughes Medical Institute
University of California, San Francisco
533 Parnassus Ave.
San Francisco, CA 94143
mgrabe_at_itsa.ucsf.edu
tel: ++ 415.476.6585
http://itsa.ucsf.edu/~mgrabe

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