Reimplement constant acceleration groups

[alexxy/gromacs.git] / src / gromacs / modularsimulator / modularsimulator.cpp

diff --git a/src/gromacs/modularsimulator/modularsimulator.cpp b/src/gromacs/modularsimulator/modularsimulator.cpp
index fac5ea0d86bfd2c0db059fe66598559d18d15617..03e64cc6e36c6fdb4c95fd04625eab68fed98a4a 100644 (file)
--- a/src/gromacs/modularsimulator/modularsimulator.cpp
+++ b/src/gromacs/modularsimulator/modularsimulator.cpp
@@ -401,7 +401,7 @@ bool ModularSimulator::isInputCompatible(bool                             exitOn
             && conditionalAssert(!doRerun, "Rerun is not supported by the modular simulator.");
     isInputCompatible =
             isInputCompatible
-            && conditionalAssert(inputrec->cos_accel == 0.0,
+            && conditionalAssert(!inputrec->useConstantAcceleration && inputrec->cos_accel == 0.0,
                                  "Acceleration is not supported by the modular simulator.");
     isInputCompatible =
             isInputCompatible