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Activate QMMM MDModule
[alexxy/gromacs.git]
/
src
/
gromacs
/
gmxpreprocess
/
tests
/
refdata
/
GetIrTest_AcceptsElectricFieldOscillating.xml
diff --git
a/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricFieldOscillating.xml
b/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricFieldOscillating.xml
index bbefcc9748f75a82ba1dd2220588a9852dcc8862..4afc56f511fad2b3b3f92d3139766613b7d32858 100644
(file)
--- a/
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricFieldOscillating.xml
+++ b/
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricFieldOscillating.xml
@@
-298,5
+298,8
@@
electric-field-z = 3.7 7.5 0 0
; Density guided simulation
density-guided-simulation-active = false
+
+; QM/MM with CP2K
+qmmm-cp2k-active = false
</String>
</ReferenceData>