Merge branch 'release-4-5-patches' into release-4-6

[alexxy/gromacs.git] / src / kernel / gmxcheck.c

diff --git a/src/kernel/gmxcheck.c b/src/kernel/gmxcheck.c
index ede1bbf354de45bd044704d374bccbc0c261a7e7..0c4d26054d0587b10fc19608d4fd0d885cb47d9a 100644 (file)
--- a/src/kernel/gmxcheck.c
+++ b/src/kernel/gmxcheck.c
@@ -41,7 +41,7 @@
 #include <ctype.h>
 #include "main.h"
 #include "macros.h"
-#include "math.h"
+#include <math.h>
 #include "futil.h"
 #include "statutil.h"
 #include "copyrite.h"
@@ -217,7 +217,7 @@ static void chk_bonds(t_idef *idef,int ePBC,rvec *x,matrix box,real tol)
          b0 = idef->iparams[type].harmonic.rA;
          break;
        case F_MORSE:
-         b0 = idef->iparams[type].morse.b0;
+         b0 = idef->iparams[type].morse.b0A;
          break;
        case F_CUBICBONDS:
          b0 = idef->iparams[type].cubic.b0;
@@ -521,7 +521,7 @@ void chk_tps(const char *fn, real vdw_fac, real bon_lo, real bon_hi)
 void chk_ndx(const char *fn)
 {
   t_blocka *grps;
-  char **grpname=NULL;
+  char **grpname;
   int  i,j;
   
   grps = init_index(fn,&grpname);
@@ -665,7 +665,7 @@ int main(int argc,char *argv[])
       "Last energy term to compare (if not given all are tested). It makes sense to go up until the Pressure." }
   };
 
-  CopyRight(stdout,argv[0]);
+  CopyRight(stderr,argv[0]);
   parse_common_args(&argc,argv,0,NFILE,fnm,asize(pa),pa,
                    asize(desc),desc,0,NULL,&oenv);