a
grep -rl -e "FEP" -e "dvdlambda" *
in the gromacs source directory will show you these files.
Carsten
On Apr 24, 2009, at 4:33 PM, murat cetinkaya wrote:
Hello GMX-people
I am trying to locate the source code files regarding free energy
perturbation (FEP) calculations. Does anyone have an idea?
regards,
--
Murat Cetinkaya, PhD
Max-Planck-Institute for Metals Research
Protein Mechanics and Evolution Group
Bioquant BQ0031, Universitaet Heidelberg
INF 267, 69120 Heidelberg, Germany
Tel +49 6221-54-51268 Fax +49 6221-54-51483
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--
Dr. Carsten Kutzner
Max Planck Institute for Biophysical Chemistry
Theoretical and Computational Biophysics
Am Fassberg 11, 37077 Goettingen, Germany
Tel. +49-551-2012313, Fax: +49-551-2012302
http://www.mpibpc.mpg.de/home/grubmueller/ihp/ckutzne
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