unrecognizable code in the output file of ParseFEP analysis in VMD 1.9.1 under the Linux system

From: dbaogen (dbaogen_at_gmail.com)
Date: Sun Apr 28 2013 - 03:11:52 CDT

Hi all,

        when I used the ParseFEP plugin in VMD1.9.1 to calculate free energy difference, the output file included unrecognizable code. The concrete message is as follow:

backward: ParseFEP: Summary of thermodynamic quantities in kcal/mol
backward: -------------------------------------------
backward: ?..A (FEP) = 1.4070102898880115 ?. (FEP) = 0.5613522541720011
backward: -------------------------------------------
backward: errorFEP: Error estimate from 1-st order perturbation theory:
backward: kT = 0.616032
backward: 1+2κ = 19.990279
backward: N/(1+2κ) = 1000.486298
backward: <exp(-2?./kT)> = 0.012619
backward: <exp(-?./kT)> = 0.094409
backward: <exp(-?./2kT) > = 0.295029
backward: ?² = <exp(-2?./kT)> - <exp(-?./kT)>² = 0.003706
backward: ?² = <exp(-?./kT)> - <exp(-?./2kT)>² = 0.007367
backward: -----------------------------------------------------------
backward: ?..? = 0.158
backward: ?² = 27.504
backward: ?.? = 0.013
backward: δε = 0.145
backward: -----------------------------------------------------------

What's the matter with this? Would you like give me some help? Thanks in advance.

Best wishes

Duan Baogen

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