From 152979a2461ed4aea6967b49c6aceac19fda52f0 Mon Sep 17 00:00:00 2001 From: Giovanni Bussi <giovanni.bussi@gmail.com> Date: Tue, 28 Nov 2017 18:26:41 +0100 Subject: [PATCH] Regtest --- regtest/basic/rt67/config | 2 +- regtest/basic/rt67/plumed.dat | 1 - 2 files changed, 1 insertion(+), 2 deletions(-) diff --git a/regtest/basic/rt67/config b/regtest/basic/rt67/config index ce858d0c5..e960f8cb3 100644 --- a/regtest/basic/rt67/config +++ b/regtest/basic/rt67/config @@ -1,3 +1,3 @@ type=driver # this is to test a different name -arg="--plumed plumed.dat --trajectory-stride 500 --timestep 0.002 --igro traj.gro" +arg="--plumed plumed.dat --trajectory-stride 500 --timestep 0.002 --igro traj.gro --kt 2.494339" diff --git a/regtest/basic/rt67/plumed.dat b/regtest/basic/rt67/plumed.dat index 6eed71d03..95c5cd685 100644 --- a/regtest/basic/rt67/plumed.dat +++ b/regtest/basic/rt67/plumed.dat @@ -6,7 +6,6 @@ METAD ... SIGMA=0.20,0.20 HEIGHT=1.20 BIASFACTOR=10 - TEMP=300.0 PACE=500 LABEL=metad FILE=HILLS -- GitLab