Mercurial > repos > chemteam > gmx_fep

diff alchemical_run/gmx_fep.sh @ 1:5338b2d682a4 draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/free_energy commit 4c75f8d26505d221d4144f4ae7d2fb7698fbe4ab"
author chemteam
date Mon, 18 Nov 2019 14:51:14 +0000
parents 4bf34e31306d
children 4f367d3db5a7
line wrap: on
line diff
--- a/alchemical_run/gmx_fep.sh	Mon Nov 11 13:20:00 2019 -0500
+++ b/alchemical_run/gmx_fep.sh	Mon Nov 18 14:51:14 2019 +0000
@@ -12,6 +12,7 @@
 FREE_ENERGY=`pwd`
 MDP=$FREE_ENERGY/MDP
 
+set -e
 
 for i in `seq 0 $lam`
  do