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Fixed shift and switch modifiers, particularly for free-energy
[alexxy/gromacs.git]
/
include
/
nonbonded.h
diff --git
a/include/nonbonded.h
b/include/nonbonded.h
index de4a59cdffd627fb4829effc0b206181e3cb23c2..923341204c6ea1c5787bd1d01e0579be073b4b62 100644
(file)
--- a/
include/nonbonded.h
+++ b/
include/nonbonded.h
@@
-67,7
+67,8
@@
gmx_nonbonded_setup(FILE * fplog,
GMX_LIBGMX_EXPORT
void
gmx_nonbonded_set_kernel_pointers(FILE * fplog,
- t_nblist * nl);
+ t_nblist * nl,
+ gmx_bool bElecAndVdwSwitchDiffers);