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

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

diff --git a/src/tools/gmx_chi.c b/src/tools/gmx_chi.c
index 97f58ad4f6c910fa478ccd94a81f8fb17b804f3c..13559df98706c5a0ce589da64e930066ada85437 100644 (file)
--- a/src/tools/gmx_chi.c
+++ b/src/tools/gmx_chi.c
@@ -51,7 +51,7 @@
 #include "smalloc.h"
 #include "statutil.h"
 #include "tpxio.h"
-#include "string.h"
+#include <string.h>
 #include "sysstuff.h"
 #include "txtdump.h"
 #include "typedefs.h"
@@ -1135,7 +1135,7 @@ int gmx_chi(int argc,char *argv[])
   atom_id    isize,*index;
   int        ndih,nactdih,nf;
   real       **dih,*trans_frac,*aver_angle,*time;
-  int        i,j,**chi_lookup,*xity; 
+  int        i,j,**chi_lookup,*multiplicity; 
   
   t_filenm  fnm[] = {
     { efSTX, "-s",  NULL,     ffREAD  },
@@ -1254,8 +1254,8 @@ int gmx_chi(int argc,char *argv[])
    *
    * added multiplicity */ 
 
-  snew(xity,ndih) ;
-  mk_multiplicity_lookup(xity, maxchi, dih, nlist, dlist,ndih); 
+  snew(multiplicity,ndih) ;
+  mk_multiplicity_lookup(multiplicity, maxchi, dih, nlist, dlist,ndih); 
  
   strcpy(grpname, "All residues, "); 
   if(bPhi) 
@@ -1272,7 +1272,7 @@ int gmx_chi(int argc,char *argv[])
 
   low_ana_dih_trans(bDo_ot, opt2fn("-ot",NFILE,fnm),
                    bDo_oh, opt2fn("-oh",NFILE,fnm),maxchi, 
-                   dih, nlist, dlist, nf, nactdih, grpname, xity, 
+                   dih, nlist, dlist, nf, nactdih, grpname, multiplicity, 
                    time, FALSE, core_frac,oenv);
 
   /* Order parameters */  
@@ -1305,7 +1305,7 @@ int gmx_chi(int argc,char *argv[])
     mk_chi_lookup(chi_lookup, maxchi, dih, nlist, dlist); 
     
     get_chi_product_traj(dih,nf,nactdih,nlist,
-                        maxchi,dlist,time,chi_lookup,xity,
+                        maxchi,dlist,time,chi_lookup,multiplicity,
                         FALSE,bNormHisto, core_frac,bAll,
                         opt2fn("-cp",NFILE,fnm),oenv);