From 2605ac32c71e6cc32969ff087a13abe4d1230140 Mon Sep 17 00:00:00 2001 From: Vickie Lynch Date: Sat, 29 Jun 2013 10:25:50 -0400 Subject: [PATCH] fix input name for sassina --- simulation/sassina_camm-test.pbs | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/simulation/sassina_camm-test.pbs b/simulation/sassina_camm-test.pbs index f053e6e..3155d42 100644 --- a/simulation/sassina_camm-test.pbs +++ b/simulation/sassina_camm-test.pbs @@ -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 . @@ -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 . @@ -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 .