Merge branch release-2018

[alexxy/gromacs.git] / src / gromacs / gmxana / gmx_rms.cpp

diff --git a/src/gromacs/gmxana/gmx_rms.cpp b/src/gromacs/gmxana/gmx_rms.cpp
index 7f488c8fc6255ea6225577276fb6fd0a96b10fe9..e981c775e69607f14d5be76721610ca29d805ec4 100644 (file)
--- a/src/gromacs/gmxana/gmx_rms.cpp
+++ b/src/gromacs/gmxana/gmx_rms.cpp
@@ -105,7 +105,7 @@ int gmx_rms(int argc, char *argv[])
         "deviation (RMSD), the size-independent [GRK]rho[grk] similarity parameter",
         "([TT]rho[tt]) or the scaled [GRK]rho[grk] ([TT]rhosc[tt]), ",
         "see Maiorov & Crippen, Proteins [BB]22[bb], 273 (1995).",
-        "This is selected by [TT]-what[tt].[PAR]"
+        "This is selected by [TT]-what[tt].[PAR]",
 
         "Each structure from a trajectory ([TT]-f[tt]) is compared to a",
         "reference structure. The reference structure",
@@ -845,7 +845,7 @@ int gmx_rms(int argc, char *argv[])
             if (bDeltaLog)
             {
                 delta_scalex = 8.0/std::log(2.0);
-                delta_xsize  = static_cast<int>(std::log(static_cast<real>(tel_mat/2))*delta_scalex+0.5)+1;
+                delta_xsize  = static_cast<int>(std::log(tel_mat/2.)*delta_scalex+0.5)+1;
             }
             else
             {
@@ -954,7 +954,7 @@ int gmx_rms(int argc, char *argv[])
         }
         else
         {
-            rmsd_avg /= tel_mat*(tel_mat - 1)/2;
+            rmsd_avg /= tel_mat*(tel_mat - 1)/2.;
         }
         if (bMat && (avl > 0))
         {
@@ -1141,7 +1141,7 @@ int gmx_rms(int argc, char *argv[])
     }
     if (nrms != 1)
     {
-        xvgr_legend(fp, nrms, (const char**)gn_rms, oenv);
+        xvgr_legend(fp, nrms, gn_rms, oenv);
     }
     for (i = 0; (i < teller); i++)
     {
@@ -1184,7 +1184,7 @@ int gmx_rms(int argc, char *argv[])
             {
                 fprintf(fp, "@ subtitle \"after lsq fit to mirror %s\"\n", bFit ? gn_fit : "");
             }
-            xvgr_legend(fp, nrms, (const char**)gn_rms, oenv);
+            xvgr_legend(fp, nrms, gn_rms, oenv);
         }
         for (i = 0; (i < teller); i++)
         {