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Also use DD partitioning in serial
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdrun
/
shellfc.cpp
diff --git
a/src/gromacs/mdrun/shellfc.cpp
b/src/gromacs/mdrun/shellfc.cpp
index 1284b62fb5187d95cc4a705c80b113fe677680c9..7f15b180bc8bbe9d811eb54b6d7ced370665eebf 100644
(file)
--- a/
src/gromacs/mdrun/shellfc.cpp
+++ b/
src/gromacs/mdrun/shellfc.cpp
@@
-287,7
+287,7
@@
gmx_shellfc_t* init_shell_flexcon(FILE* fplog,
"not supported in combination with shell particles.\nPlease make a new tpr file.",
nstcalcenergy);
}
- if (usingDomainDecomposition)
+ if (
nshell > 0 &&
usingDomainDecomposition)
{
gmx_fatal(
FARGS,