Merge origin/release-4-6 into master

[alexxy/gromacs.git] / src / gromacs / gmxlib / tpxio.c

diff --git a/src/gromacs/gmxlib/tpxio.c b/src/gromacs/gmxlib/tpxio.c
index 412c76945e55e5c9f6180af319299a97d5be0b33..5375ae056a15899ef54d5b3ec86883f78d41ef22 100644 (file)
--- a/src/gromacs/gmxlib/tpxio.c
+++ b/src/gromacs/gmxlib/tpxio.c
@@ -73,7 +73,7 @@
 static const char *tpx_tag = TPX_TAG_RELEASE;
 
 /* This number should be increased whenever the file format changes! */
-static const int tpx_version = 90;
+static const int tpx_version = 91;
 
 /* This number should only be increased when you edit the TOPOLOGY section
  * or the HEADER of the tpx format.
@@ -688,7 +688,16 @@ static void do_inputrec(t_fileio *fio, t_inputrec *ir,gmx_bool bRead,
     if (file_version >= 67) {
       gmx_fio_do_real(fio,ir->rlistlong);
     }
-    gmx_fio_do_int(fio,ir->coulombtype); 
+    if(file_version >= 82 && file_version != 90)
+    {
+        gmx_fio_do_int(fio,ir->nstcalclr);
+    }
+    else
+    {
+        /* Calculate at NS steps */
+        ir->nstcalclr = ir->nstlist;
+    }
+    gmx_fio_do_int(fio,ir->coulombtype);
     if (file_version < 32 && ir->coulombtype == eelRF)
       ir->coulombtype = eelRF_NEC;      
     if (file_version >= 81)