Merge branch release-2019
authorMark Abraham <mark.j.abraham@gmail.com>
Thu, 22 Aug 2019 19:16:04 +0000 (21:16 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Thu, 22 Aug 2019 19:36:55 +0000 (21:36 +0200)
Change-Id: I71b540586e32f54f3536c5a59eb99d89ad0b3639

1  2 
src/gromacs/gmxana/gmx_disre.cpp
src/gromacs/gpu_utils/cudautils.cuh

index 9c6fe6564fbaf32d275c7f4d015389c5466a302e,b21ec418632197e5aef706928ed113c4a516c84e..2bed1d997f473640a614cbe56a00f5b2d839e9ff
@@@ -886,15 -893,15 +886,15 @@@ int gmx_disre(int argc, char *argv[]
  
      if (clust)
      {
-         dump_clust_stats(fplog, fcd.disres.nres, &(top.idef.il[F_DISRES]),
 -        dump_clust_stats(fplog, fcd.disres, &(top->idef.il[F_DISRES]),
 -                         top->idef.iparams, clust->clust, dr_clust,
++        dump_clust_stats(fplog, fcd.disres, &(top.idef.il[F_DISRES]),
 +                         top.idef.iparams, clust->clust, dr_clust,
                           clust->grpname, isize, index);
      }
      else
      {
-         dump_stats(fplog, j, fcd.disres.nres, &(top.idef.il[F_DISRES]),
 -        dump_stats(fplog, j, fcd.disres, &(top->idef.il[F_DISRES]),
 -                   top->idef.iparams, &dr, isize, index,
 -                   bPDB ? atoms : nullptr);
++        dump_stats(fplog, j, fcd.disres, &(top.idef.il[F_DISRES]),
 +                   top.idef.iparams, &dr, isize, index,
 +                   bPDB ? atoms.get() : nullptr);
          if (bPDB)
          {
              write_sto_conf(opt2fn("-q", NFILE, fnm),
Simple merge