From b1481cecaece650ceacb0eb2acb332ea327a78c7 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Thomas=20L=C3=B6hr?= Date: Fri, 16 Apr 2021 15:33:32 +0100 Subject: [PATCH] EMMI: added missing DSIGMA to regtest --- regtest/isdb/rt-emmi-metad-mpi/plumed.dat | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/regtest/isdb/rt-emmi-metad-mpi/plumed.dat b/regtest/isdb/rt-emmi-metad-mpi/plumed.dat index aed8650e08..3f27ae849a 100644 --- a/regtest/isdb/rt-emmi-metad-mpi/plumed.dat +++ b/regtest/isdb/rt-emmi-metad-mpi/plumed.dat @@ -17,7 +17,7 @@ EMMI ... LABEL=gmm NOPBC TEMP=310 NL_STRIDE=10 NL_CUTOFF=0.1 ATOMS=protein-h GMM_FILE=map.dat AVERAGING=5 WRITE_STRIDE=10 - SIGMA0=0.5 SIGMA_MIN=0.2 RESOLUTION=1.0 NOISETYPE=GAUSS + SIGMA0=0.5 SIGMA_MIN=0.2 DSIGMA=0.0 RESOLUTION=1.0 NOISETYPE=GAUSS ... DUMPDERIVATIVES ARG=gmm.scoreb STRIDE=1 FMT=%8.1f FILE=deriva