From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Mon Oct 16 2017 - 21:43:40 CDT
Does this apply to that simulation?
http://colvars.github.io/README-totalforce.md
On Mon, Oct 16, 2017 at 9:20 PM, yjcoshc <yjcoshc_at_gmail.com> wrote:
> 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
>
>
-- Giacomo Fiorin Associate Professor of Research, Temple University, Philadelphia, PA Contractor, National Institutes of Health, Bethesda, MD http://goo.gl/Q3TBQU https://github.com/giacomofiorin
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