Enable terminus-specific atom translation

[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / pdb2gmx.c

diff --git a/src/gromacs/gmxpreprocess/pdb2gmx.c b/src/gromacs/gmxpreprocess/pdb2gmx.c
index b8686eefefcd92c62760f21da3956f1ab28fa1ca..3e26de80b6d4aa36f2fc41ebb6e6d1ccdc2e4c77 100644 (file)
--- a/src/gromacs/gmxpreprocess/pdb2gmx.c
+++ b/src/gromacs/gmxpreprocess/pdb2gmx.c
@@ -1714,7 +1714,7 @@ int gmx_pdb2gmx(int argc, char *argv[])
     printf("There are %d chains and %d blocks of water and "
            "%d residues with %d atoms\n",
            nch-nwaterchain, nwaterchain,
-           pdba_all.resinfo[pdba_all.atom[natom-1].resind].nr, natom);
+           pdba_all.nres, natom);
 
     printf("\n  %5s  %4s %6s\n", "chain", "#res", "#atoms");
     for (i = 0; (i < nch); i++)