Skip to content

Commit

Permalink
fix input name for sassina
Browse files Browse the repository at this point in the history
  • Loading branch information
VickieLynch committed Jun 29, 2013
1 parent 7355425 commit 2605ac3
Showing 1 changed file with 3 additions and 3 deletions.
6 changes: 3 additions & 3 deletions simulation/sassina_camm-test.pbs
Original file line number Diff line number Diff line change
Expand Up @@ -31,7 +31,7 @@ mkdir -p forward/toppar

cd center
cp /data/jbq/projects/research/LiCl/watBox30/Hq.II/Q42/toppar/crd.md18_vmd_autopsf.pdb toppar
cp $NAMD_DIR/center/production_single.dcd production_single.dcd
cp $NAMD_DIR/center/production.dcd production_single.dcd
cp /data/jbq/projects/research/LiCl/watBox30/Hq.II/Q42/T290/production/db*.xml .
cp -R /data/jbq/projects/research/LiCl/watBox30/Hq.II/Q42/T290/production/database .
cp /data/jbq/sassena_test/sassenaInc.xml .
Expand All @@ -41,7 +41,7 @@ $MPIRUN -n $tasks_per_job -hostfile ../nodefile2 $SASSINA --config=sassenaCoh.xm

cd ../backward
cp /data/jbq/projects/research/LiCl/watBox30/Hq.II/Q42/toppar/crd.md18_vmd_autopsf.pdb toppar
cp $NAMD_DIR/backward/production_single.dcd production_single.dcd
cp $NAMD_DIR/backward/production.dcd production_single.dcd
cp /data/jbq/projects/research/LiCl/watBox30/Hq.II/Q42/T290/production/db*.xml .
cp -R /data/jbq/projects/research/LiCl/watBox30/Hq.II/Q42/T290/production/database .
cp /data/jbq/sassena_test/sassenaInc.xml .
Expand All @@ -51,7 +51,7 @@ $MPIRUN -n $tasks_per_job -hostfile ../nodefile4 $SASSINA --config=sassenaCoh.xm

cd ../forward
cp /data/jbq/projects/research/LiCl/watBox30/Hq.II/Q42/toppar/crd.md18_vmd_autopsf.pdb toppar
cp $NAMD_DIR/forward/production_single.dcd production_single.dcd
cp $NAMD_DIR/forward/production.dcd production_single.dcd
cp /data/jbq/projects/research/LiCl/watBox30/Hq.II/Q42/T290/production/db*.xml .
cp -R /data/jbq/projects/research/LiCl/watBox30/Hq.II/Q42/T290/production/database .
cp /data/jbq/sassena_test/sassenaInc.xml .
Expand Down

0 comments on commit 2605ac3

Please sign in to comment.