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Fixes to config.h.cmakein to set GMX_QMMM_ORCA.
[alexxy/gromacs.git]
/
src
/
config.h.cmakein
diff --git
a/src/config.h.cmakein
b/src/config.h.cmakein
index ffa22a1fab7bae5ea8f31b33d3ce167d8c5ad964..f023d21787b9a96d1c5e3cdf3ec975eb508a3f00 100644
(file)
--- a/
src/config.h.cmakein
+++ b/
src/config.h.cmakein
@@
-166,6
+166,9
@@
/* Use (modified) Mopac 7 for QM-MM calculations */
#cmakedefine GMX_QMMM_MOPAC
+/* Use ORCA for QM-MM calculations */
+#cmakedefine GMX_QMMM_ORCA
+
/* Use the GROMACS software 1/sqrt(x) */
#cmakedefine GMX_SOFTWARE_INVSQRT