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Activate QMMM MDModule
[alexxy/gromacs.git]
/
src
/
gromacs
/
gmxpreprocess
/
tests
/
refdata
/
GetIrTest_AcceptsElectricFieldPulsed.xml
diff --git
a/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricFieldPulsed.xml
b/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricFieldPulsed.xml
index 8b21cdf5efd01f4a5fa5450a906bc491529b05f3..4aac61bfa2a7e26bd16d904a61309268bdacc39b 100644
(file)
--- a/
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricFieldPulsed.xml
+++ b/
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricFieldPulsed.xml
@@
-298,5
+298,8
@@
electric-field-z = 0 0 0 0
; Density guided simulation
density-guided-simulation-active = false
+
+; QM/MM with CP2K
+qmmm-cp2k-active = false
</String>
</ReferenceData>