From 44f23e26a1423e639ed1223654dbc0fca9aa9bff Mon Sep 17 00:00:00 2001 From: Gareth Tribello <gareth.tribello@gmail.com> Date: Mon, 24 Jun 2019 18:21:30 +0100 Subject: [PATCH] Fixed example inputs for MaxEnt -- please check --- src/bias/MaxEnt.cpp | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/bias/MaxEnt.cpp b/src/bias/MaxEnt.cpp index 31e022d6d..87f9af70d 100644 --- a/src/bias/MaxEnt.cpp +++ b/src/bias/MaxEnt.cpp @@ -104,15 +104,15 @@ PACE=200 TSTART=100 TEND=500 LABEL=restraint -PRINT ARG=restraint.bias ... MAXENT +PRINT ARG=restraint.bias \endplumedfile Lagrangian multipliers will be printed on a file called restraint.bias The following input tells plumed to restrain the distance between atoms 7 and 15 to be greater than 0.2 and to print the energy of the restraint \plumedfile DISTANCE ATOMS=7,15 LABEL=d -MAXENT ARG=d TYPE=INEQUAL> AT=0.02 KAPPA=35000.0 TAU= LABEL=restraint +MAXENT ARG=d TYPE=INEQUAL> AT=0.02 KAPPA=35000.0 TAU=3 LABEL=restraint PRINT ARG=restraint.bias \endplumedfile -- GitLab