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Merge branch release-2018 into master
[alexxy/gromacs.git]
/
src
/
gromacs
/
gmxpreprocess
/
topio.cpp
diff --git
a/src/gromacs/gmxpreprocess/topio.cpp
b/src/gromacs/gmxpreprocess/topio.cpp
index 73e5abf4228468846380dccb78944812aab55903..9c466cc29aa8a5f6e48b04d6f5bceafe78602f89 100644
(file)
--- a/
src/gromacs/gmxpreprocess/topio.cpp
+++ b/
src/gromacs/gmxpreprocess/topio.cpp
@@
-192,7
+192,7
@@
double check_mol(gmx_mtop_t *mtop, warninp_t wi)
/* Check mass and charge */
q = 0.0;
- for (mb = 0; mb < mtop->nmol
type
; mb++)
+ for (mb = 0; mb < mtop->nmol
block
; mb++)
{
atoms = &mtop->moltype[mtop->molblock[mb].type].atoms;
nmol = mtop->molblock[mb].nmol;