From 2155c05600a743c4491d581d7bac7f9f28d60ab9 Mon Sep 17 00:00:00 2001 From: Jonas Landsgesell Date: Tue, 19 May 2015 14:59:47 +0200 Subject: [PATCH] improved documentation --- doc/ug/run.tex | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/doc/ug/run.tex b/doc/ug/run.tex index 09a89a0c401..c46531db449 100755 --- a/doc/ug/run.tex +++ b/doc/ug/run.tex @@ -408,10 +408,10 @@ \section{Metadynamics} \variant{2} metadynamics set off \variant{3} metadynamics set distance \var{pid_1} \var{pid_2} \ \var{d_\mathrm{min}} \var{d_\mathrm{max}} \var{b_\mathrm{height}} \ - \var{b_\mathrm{width}} \var{f_\mathrm{bound}} \var{d_\mathrm{bins}} + \var{b_\mathrm{width}} \var{f_\mathrm{bound}} \var{d_\mathrm{bins}} \var{numrelaxationsteps} \variant{4} metadynamics set relative_z \var{pid_1} \var{pid_2} \ \var{z_\mathrm{min}} \var{z_\mathrm{max}} \var{b_\mathrm{height}} \ - \var{b_\mathrm{width}} \var{f_\mathrm{bound}} \var{z_\mathrm{bins}} + \var{b_\mathrm{width}} \var{f_\mathrm{bound}} \var{z_\mathrm{bins}} \var{numrelaxationsteps} \variant{5} metadynamics print_stat current_coord \variant{6} metadynamics print_stat coord_values \variant{7} metadynamics print_stat profile @@ -451,11 +451,11 @@ \section{Metadynamics} \item[\var{f_\mathrm{bound}}] strength of the ramping force at the boundaries of the reaction coordinate interval. \item[\var{d_\mathrm{bins}}, \var{z_\mathrm{bins}}]: number of bins of - the reaction coordinate. This is only used for the numerical evaluation of the bias function. + the reaction coordinate. This is only used for the numerical evaluation of the bias function. +\item[\var{numrelaxationsteps}] number of relaxation steps before setting a new hill. \item[\var{profile\_list}] Tcl list of a previous metadynamics profile. \item[\var{force\_list}] Tcl list of a previous metadynamics force. -\item[\var{numrelaxationsteps}] number of relaxation steps before setting a new hill. \end{arguments} \subsubsection{Details on usage}