Merge release-4-6 into master

[alexxy/gromacs.git] / src / tools / gmx_tune_pme.c

diff --git a/src/tools/gmx_tune_pme.c b/src/tools/gmx_tune_pme.c
index 7f2cac7f9a0468c2623d3ffd102afc75d17ad940..2397b3beaf1bc44accd545030a0321b48b3c820c 100644 (file)
--- a/src/tools/gmx_tune_pme.c
+++ b/src/tools/gmx_tune_pme.c
@@ -1564,15 +1564,14 @@ static void check_input(
 /* Returns TRUE when "opt" is needed at launch time */
 static gmx_bool is_launch_file(char *opt, gmx_bool bSet)
 {
-    /* Apart from the input .tpr we need all options that were set
+    /* Apart from the input .tpr and the error log we need all options that were set
      * on the command line and that do not start with -b */
-    if (0 == strncmp(opt,"-b", 2) || 0 == strncmp(opt,"-s", 2))
+    if (0 == strncmp(opt,"-b", 2) || 0 == strncmp(opt,"-s", 2) || 0 == strncmp(opt,"-err", 4))
+    {
         return FALSE;
+    }
 
-    if (bSet)
-        return TRUE;
-    else
-        return FALSE;
+    return bSet;
 }
 
 
@@ -1925,7 +1924,7 @@ int gmx_tune_pme(int argc,char *argv[])
       { efXVG, "-tpi",    "tpi",      ffOPTWR },
       { efXVG, "-tpid",   "tpidist",  ffOPTWR },
       { efEDI, "-ei",     "sam",      ffOPTRD },
-      { efEDO, "-eo",     "sam",      ffOPTWR },
+      { efXVG, "-eo",     "edsam",    ffOPTWR },
       { efGCT, "-j",      "wham",     ffOPTRD },
       { efGCT, "-jo",     "bam",      ffOPTWR },
       { efXVG, "-ffout",  "gct",      ffOPTWR },
@@ -1946,7 +1945,7 @@ int gmx_tune_pme(int argc,char *argv[])
       { efSTO, "-bc",     "bench",    ffWRITE },
       { efEDR, "-be",     "bench",    ffWRITE },
       { efLOG, "-bg",     "bench",    ffWRITE },
-      { efEDO, "-beo",    "bench",    ffOPTWR },
+      { efXVG, "-beo",    "benchedo", ffOPTWR },
       { efXVG, "-bdhdl",  "benchdhdl",ffOPTWR },
       { efXVG, "-bfield", "benchfld" ,ffOPTWR },
       { efXVG, "-btpi",   "benchtpi", ffOPTWR },