Merge remote-tracking branch 'origin/release-4-6' into HEAD

[alexxy/gromacs.git] / src / gromacs / mdlib / mdebin.c

diff --git a/src/gromacs/mdlib/mdebin.c b/src/gromacs/mdlib/mdebin.c
index 825b47caa1f481ae92732896d51d561edca7d20f..63dfc8b9e3ce0e74e6d28a8f1a9885ba56e7e9bf 100644 (file)
--- a/src/gromacs/mdlib/mdebin.c
+++ b/src/gromacs/mdlib/mdebin.c
@@ -1290,12 +1290,18 @@ void print_ebin(ener_file_t fp_ene,gmx_bool bEne,gmx_bool bDR,gmx_bool bOR,
                 pr_ebin(log,md->ebin,md->ifvir,9,3,mode,FALSE);
                 fprintf(log,"\n");
             }
-            fprintf(log,"   Total Virial (%s)\n",unit_energy);
-            pr_ebin(log,md->ebin,md->ivir,9,3,mode,FALSE);
-            fprintf(log,"\n");
-            fprintf(log,"   Pressure (%s)\n",unit_pres_bar);
-            pr_ebin(log,md->ebin,md->ipres,9,3,mode,FALSE);
-            fprintf(log,"\n");
+            if (md->bVir)
+            {
+                fprintf(log,"   Total Virial (%s)\n",unit_energy);
+                pr_ebin(log,md->ebin,md->ivir,9,3,mode,FALSE);
+                fprintf(log,"\n");
+            }
+            if (md->bPress)
+            {
+                fprintf(log,"   Pressure (%s)\n",unit_pres_bar);
+                pr_ebin(log,md->ebin,md->ipres,9,3,mode,FALSE);
+                fprintf(log,"\n");
+            }
             fprintf(log,"   Total Dipole (%s)\n",unit_dipole_D);
             pr_ebin(log,md->ebin,md->imu,3,3,mode,FALSE);
             fprintf(log,"\n");