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Activate QMMM MDModule
[alexxy/gromacs.git]
/
src
/
gromacs
/
gmxpreprocess
/
tests
/
refdata
/
GetIrTest_AcceptsImplicitSolventNo.xml
diff --git
a/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsImplicitSolventNo.xml
b/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsImplicitSolventNo.xml
index 72c39c0c0e3ea041031f2ce4b466e8babfc3c0db..2f3bebf7c10abb1bda56a7251e9b46c402143a12 100644
(file)
--- a/
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsImplicitSolventNo.xml
+++ b/
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsImplicitSolventNo.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>