colvars: Did the orthogonality requirements of colvars change in ABF?

From: yjcoshc (yjcoshc_at_gmail.com)
Date: Mon Oct 16 2017 - 20:20:29 CDT

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Hello,

   I tested ABF on the cyclohexane model in this paper
(http://dx.doi.org/10.1021/acs.jctc.6b00447). The three dihedrals
defined in colvars component appeared to be not orthogonal, but
NAMD_Git-2017-10-09_Source with latest colvars code gave me correct
results while NAMD 2.11 didn't. Did ABF orthogonality or something
change in colvars?

Thanks,

yjcoshc

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