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From: Foster, Clay A. (clayfoster_at_ou.edu)
Date: Thu Jul 31 2014 - 17:44:45 CDT
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Greetings,
I am using v 1.8.1 of ParseFEP to analyze a bidirectional FEP experiment. The disp and BAR-estimator options are checked. I entered in both my .fepout files. Right after the BAR-estimator produces total free energy change and error values, I get an application error saying:
domain error: argument not in valid range
domain error: argument not in valid range
while executing
"expr { int (( $elem2 - $min ) / $delta ) } "
(procedure "::ParseFEP::fepdisp_unix" line 85)
invoked from within
"::ParseFEP::fepdisp_unix"
No plots are generated.
Any ideas? Thanks!
Regards,
Clay
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