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Remove mdrun -seppot
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
md_support.cpp
diff --git
a/src/gromacs/mdlib/md_support.cpp
b/src/gromacs/mdlib/md_support.cpp
index 2883d6a1b7221614811a934017509753c76781c1..8402ad44e808ad164cf3341fe7ed8a6fc34ba2d5 100644
(file)
--- a/
src/gromacs/mdlib/md_support.cpp
+++ b/
src/gromacs/mdlib/md_support.cpp
@@
-463,7
+463,7
@@
void compute_globals(FILE *fplog, gmx_global_stat_t gstat, t_commrec *cr, t_inpu
if (bEner || bPres || bConstrain)
{
- calc_dispcorr(
fplog, ir, fr, 0
, top_global->natoms, box, state->lambda[efptVDW],
+ calc_dispcorr(
ir, fr
, top_global->natoms, box, state->lambda[efptVDW],
corr_pres, corr_vir, &prescorr, &enercorr, &dvdlcorr);
}