From 7d1a8f427d70fe5950ab0cd6449582ccb99ac504 Mon Sep 17 00:00:00 2001 From: carlocamilloni <carlo.camilloni@gmail.com> Date: Fri, 29 Sep 2017 10:16:23 +0200 Subject: [PATCH] fix in bibliography --- src/drr/DynamicReferenceRestraining.cpp | 6 +++--- user-doc/bibliography.bib | 1 + 2 files changed, 4 insertions(+), 3 deletions(-) diff --git a/src/drr/DynamicReferenceRestraining.cpp b/src/drr/DynamicReferenceRestraining.cpp index bc6b887bf..9b6562d0b 100644 --- a/src/drr/DynamicReferenceRestraining.cpp +++ b/src/drr/DynamicReferenceRestraining.cpp @@ -45,8 +45,8 @@ namespace drr { //+PLUMEDOC BIAS DRR /* -Used to performed extended-system adaptive biasing force(eABF) \cite Lelievre2007 -method on one or more collective variables. This method is also +Used to performed extended-system adaptive biasing force(eABF) \cite Lelievre2007 method +on one or more collective variables. This method is also called dynamic reference restraining(DRR) \cite Zheng2012 . For each collective variable \f$\xi_i\f$, a fictitious variable \f$\lambda_i\f$ @@ -83,7 +83,7 @@ It may be slow. I only change the boltzmann constant and output precision in it. For new version and issues, please see: https://github.com/fhh2626/colvars -After running eABF/DRR, the \ref drrtool utility can be used to extract the gradients and counts files from .drrstate. Naive(ABF) estimator's result is in .abf.grad and .abf.count files and CZAR estimator's result is in .czar.grad and .czar.count files. To get PMF, the abf_integrate(https://github.com/Colvars/colvars/tree/master/colvartools) is useful. +After running eABF/DRR, the \ref drr_tool utility can be used to extract the gradients and counts files from .drrstate. Naive(ABF) estimator's result is in .abf.grad and .abf.count files and CZAR estimator's result is in .czar.grad and .czar.count files. To get PMF, the abf_integrate(https://github.com/Colvars/colvars/tree/master/colvartools) is useful. \par Examples diff --git a/user-doc/bibliography.bib b/user-doc/bibliography.bib index 25e158608..acd991ce2 100644 --- a/user-doc/bibliography.bib +++ b/user-doc/bibliography.bib @@ -2562,6 +2562,7 @@ pages = {doi: 10.1101/113951}, month = {dec}, doi = {10.1021/acs.jctc.6b00944}, publisher = {American Chemical Society ({ACS})}, +} @article{Bonomi:2017cc, author = {Bonomi, Massimiliano and Camilloni, Carlo}, -- GitLab