From ee3c0a9a8a5e0050695e123e93c7fbccc867c9bd Mon Sep 17 00:00:00 2001 From: Carlo Camilloni <carlo.camilloni@gmail.com> Date: Wed, 12 Feb 2014 10:48:09 +0100 Subject: [PATCH] METAD: documenation updated to say that hills height is rescaled in case of WTMetaD. --- src/bias/MetaD.cpp | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/src/bias/MetaD.cpp b/src/bias/MetaD.cpp index b5d5a2d79..c48b079f9 100644 --- a/src/bias/MetaD.cpp +++ b/src/bias/MetaD.cpp @@ -87,7 +87,8 @@ V({s},t)= \sum_{t'=0,\tau_G,2\tau_G,\dots}^{t'<t} W e^{-V({s}({q}(t'),t')/\Delta \right), \f] -This method ensures that the bias converges more smoothly. +This method ensures that the bias converges more smoothly. It should be noted that, in the case of well-tempered metadynamics, in +the output printed the Gaussian height is re-scaled using the bias factor. Note that you can use here also the flexible gaussian approach \cite Branduardi:2012dl in which you can adapt the gaussian to the extent of Cartesian space covered by a variable or -- GitLab