From: Mark Abraham <mark.j.abraham@gmail.com>
Date: Tue, 12 Dec 2017 08:56:40 +0000 (+1100)
Subject: Merge branch release-2016 into release-2018
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=5042c87c5bf903e7417f3f88724625fc8173790f;p=alexxy%2Fgromacs.git

Merge branch release-2016 into release-2018

Change-Id: Icd7a26c399258adccf93b6d49b43567810072802
---

5042c87c5bf903e7417f3f88724625fc8173790f
diff --cc src/gromacs/mdlib/forcerec.cpp
index 595231454a,74efcf86fa..a54d2f9c58
--- a/src/gromacs/mdlib/forcerec.cpp
+++ b/src/gromacs/mdlib/forcerec.cpp
@@@ -2763,6 -2750,15 +2763,15 @@@ void init_forcerec(FIL
          {
              gmx_fatal(FARGS, "Cut-off scheme %S only supports LJ repulsion power 12", ecutscheme_names[ir->cutoff_scheme]);
          }
+         /* Older tpr files can contain Coulomb user tables with the Verlet cutoff-scheme,
+          * while mdrun does not (and never did) support this.
+          */
 -        if (EEL_USER(fr->eeltype))
++        if (EEL_USER(fr->ic->eeltype))
+         {
+             gmx_fatal(FARGS, "Combination of %s and cutoff scheme %s is not supported",
+                       eel_names[ir->coulombtype], ecutscheme_names[ir->cutoff_scheme]);
+         }
+ 
          fr->bvdwtab  = FALSE;
          fr->bcoultab = FALSE;
      }