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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(!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
"Acceleration is not supported by the modular simulator.");
isInputCompatible =
isInputCompatible