From: Mark Abraham Date: Thu, 21 Nov 2019 09:45:55 +0000 (+0100) Subject: Merge branch release-2020 X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=97152ad6f5918bb5fff487616ccc32e7efa6c74a;p=alexxy%2Fgromacs.git Merge branch release-2020 Change-Id: I72d135ce8e774d1ff70b66d86cac22eed864425e --- 97152ad6f5918bb5fff487616ccc32e7efa6c74a diff --cc src/gromacs/domdec/domdec_topology.cpp index ee5da3d11a,6e28cad22c..19acbac64b --- a/src/gromacs/domdec/domdec_topology.cpp +++ b/src/gromacs/domdec/domdec_topology.cpp @@@ -1931,10 -1931,10 +1931,10 @@@ t_blocka* makeBondedLinks(const gmx_mto i += nral_rt(ftype); } - if (mtop->bIntermolecularInteractions) + if (mtop.bIntermolecularInteractions) { - int i = ril_intermol.index[a]; - while (i < ril_intermol.index[a + 1]) + int i = ril_intermol.index[cg_gl]; + while (i < ril_intermol.index[cg_gl + 1]) { int ftype = ril_intermol.il[i++]; int nral = NRAL(ftype);