Minor patch

stracquadaniolab · Feb 15, 2024 · a33cdbc · a33cdbc
1 parent 911337a
commit a33cdbc
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/bin/openmm-runner.py b/bin/openmm-runner.py
@@ -27,7 +27,7 @@
 simulation.reporters.append(StateDataReporter(sys.argv[9], reprate, step=True,
         potentialEnergy=True, temperature=True, volume=True))
 nvtsteps=int(sys.argv[5])
-pres=sys.argv[3]
+pres=int(sys.argv[3])
 simulation.step(nvtsteps)
 system.addForce(MonteCarloBarostat(pres*bar, temp*kelvin))
 simulation.context.reinitialize(preserveState=True)