From: David van der Spoel <spoel@xray.bmc.uu.se>
Date: Wed, 1 May 2013 13:08:29 +0000 (+0200)
Subject: Fixes #1194 error reading 4.5.5 tpr files with dihres
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=3ec882b8ec644943b15455e5e803a3a009cd686d;p=alexxy%2Fgromacs.git

Fixes #1194 error reading 4.5.5 tpr files with dihres

Somehow the tpx_version produced by 4.5.5 was higher (73)
than expected, making the the tpx reading incorrectly
assuming this was using the new file format.
Now set to the version before the
first official 4.6 tpx format, 82 to match the tpr files
in the regression tests. Duh!

Change-Id: I40d8ffa0d350cf3b690f8dfb071fc191f027d02f
---

diff --git a/src/gmxlib/tpxio.c b/src/gmxlib/tpxio.c
index f79118c66e..62d77c1744 100644
--- a/src/gmxlib/tpxio.c
+++ b/src/gmxlib/tpxio.c
@@ -1787,7 +1787,7 @@ void do_iparams(t_fileio *fio, t_functype ftype, t_iparams *iparams,
             gmx_fio_do_real(fio, iparams->orires.kfac);
             break;
         case F_DIHRES:
-            if (file_version < 72)
+            if (file_version < 82)
             {
                 gmx_fio_do_int(fio, idum);
                 gmx_fio_do_int(fio, idum);
@@ -1795,7 +1795,7 @@ void do_iparams(t_fileio *fio, t_functype ftype, t_iparams *iparams,
             gmx_fio_do_real(fio, iparams->dihres.phiA);
             gmx_fio_do_real(fio, iparams->dihres.dphiA);
             gmx_fio_do_real(fio, iparams->dihres.kfacA);
-            if (file_version >= 72)
+            if (file_version >= 82)
             {
                 gmx_fio_do_real(fio, iparams->dihres.phiB);
                 gmx_fio_do_real(fio, iparams->dihres.dphiB);