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Grompp error for mismatching nst for energy calulation and densityfitting
[alexxy/gromacs.git]
/
src
/
gromacs
/
gmxpreprocess
/
grompp.cpp
diff --git
a/src/gromacs/gmxpreprocess/grompp.cpp
b/src/gromacs/gmxpreprocess/grompp.cpp
index a3a2c3f05fb7d78c3c75cfb3239d8dfe694b2a45..ba57fa1f0d798492ee58b589176e59025d20ea10 100644
(file)
--- a/
src/gromacs/gmxpreprocess/grompp.cpp
+++ b/
src/gromacs/gmxpreprocess/grompp.cpp
@@
-1882,7
+1882,7
@@
int gmx_grompp(int argc, char *argv[])
{
fprintf(stderr, "checking input for internal consistency...\n");
}
- check_ir(mdparin, ir, opts, wi);
+ check_ir(mdparin,
mdModules.notifier(),
ir, opts, wi);
if (ir->ld_seed == -1)
{