Merge pull request #313 from UCL-CCS/dwave

update ties.cgf
UCL-CCS · Aug 12, 2022 · 8bdbd41 · 8bdbd41
2 parents 0ab914c + ca7de8b
commit 8bdbd41
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/ties/scripts/openmm/TIES.cfg b/ties/scripts/openmm/TIES.cfg
@@ -25,8 +25,8 @@ methods = {estimators}
 #How many total replicas of each window are run (we recommend at least 5).
 total_reps = 5
 
-#How many replicas should each instance of TIES_MD run
-reps_per_exec = 5
+#Boolean for if we will split all replicas into separate runs. (1 for maximum parallelism)
+split_run = 1
 
 #Where in lambda schedule (0->1) should the electrostatic potentials begin, stop appearing.
 elec_edges = 0.5, 1.0