Keyword to start FEP calculation in NAMD 2.7b1

From: govardhan reddy (
Date: Fri Apr 10 2009 - 15:22:30 CDT

Dear NAMD developers,

The documentation for NAMD2.7b1 says that the keyword to switch on FEP
calculations is fepOn. The examples of input files in the
documentation also use "fepOn On" . However namd2.7b1 gives me an
error saying that the keyword fepOn is unrecognizable. However the
simulation runs without an error if I just use "fep on" instead of
"fepon on" . I suspect fepOn is a typo in the documentation.


Govardhan Reddy
Research Associate
Institute for Physical Science and Technology
University of Maryland-College Park
College Park, MD - 20742
Phone: +1-301-405-4822
Fax: +1-301-314-9404

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