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Fixed exit with FEP with PME nodes without LJ-PME
[alexxy/gromacs.git]
/
src
/
gromacs
/
legacyheaders
/
pme.h
diff --git
a/src/gromacs/legacyheaders/pme.h
b/src/gromacs/legacyheaders/pme.h
index b30678c2faf84ed8b9273b27537877fd471ed0ac..4159bf94eb05eac7d5f0f8795839af845bc012eb 100644
(file)
--- a/
src/gromacs/legacyheaders/pme.h
+++ b/
src/gromacs/legacyheaders/pme.h
@@
-87,7
+87,6
@@
int gmx_pme_destroy(FILE *log, gmx_pme_t *pmedata);
*/
#define GMX_PME_DO_COULOMB (1<<13)
#define GMX_PME_DO_LJ (1<<14)
-#define GMX_PME_LJ_LB (1<<15)
#define GMX_PME_DO_ALL_F (GMX_PME_SPREAD_Q | GMX_PME_SOLVE | GMX_PME_CALC_F)