Intermolecular bonded interaction support added

[alexxy/gromacs.git] / src / gromacs / tools / compare.c

diff --git a/src/gromacs/tools/compare.c b/src/gromacs/tools/compare.c
index fd73cd8c9799a2363e5014504eef53f4f5292607..975b62f53697e3e5335b22f24e159683cef54754 100644 (file)
--- a/src/gromacs/tools/compare.c
+++ b/src/gromacs/tools/compare.c
@@ -451,6 +451,7 @@ static void cmp_top(FILE *fp, t_topology *t1, t_topology *t2, real ftol, real ab
         cmp_atoms(fp, &(t1->atoms), &(t2->atoms), ftol, abstol);
         cmp_block(fp, &t1->cgs, &t2->cgs, "cgs");
         cmp_block(fp, &t1->mols, &t2->mols, "mols");
+        cmp_bool(fp, "bIntermolecularInteractions", -1, t1->bIntermolecularInteractions, t2->bIntermolecularInteractions);
         cmp_blocka(fp, &t1->excls, &t2->excls, "excls");
     }
     else