Fix #34: Pointless check of equality of residue points between index …

…and pfr file
HITS-MBM · Jun 24, 2020 · b8535eb · b8535eb
1 parent 9936923
commit b8535eb
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diff --git a/src/gromacs/gmxana/gmx_fda_graph.cpp b/src/gromacs/gmxana/gmx_fda_graph.cpp
@@ -116,7 +116,6 @@ int gmx_fda_graph(int argc, char *argv[])
     if (ftp2bSet(efNDX, NFILE, fnm)) {
         fprintf(stderr, "\nSelect group for residue model points:\n");
         rd_index(ftp2fn(efNDX, NFILE, fnm), 1, &isize, &index, &grpname);
-        if (isize != nbParticles) gmx_fatal(FARGS, "Number of atoms in group %i does not match number of FDA points %i.", isize, nbParticles);
     }
 
     int frameValue;

diff --git a/src/gromacs/gmxana/gmx_fda_shortest_path.cpp b/src/gromacs/gmxana/gmx_fda_shortest_path.cpp
@@ -109,7 +109,6 @@ int gmx_fda_shortest_path(int argc, char *argv[])
     char *grpname;
     fprintf(stderr, "\nSelect group for residue model points:\n");
     rd_index(ftp2fn(efNDX, NFILE, fnm), 1, &isize, &index, &grpname);
-    if (isize != nbParticles) gmx_fatal(FARGS, "Number of atoms in group does not match number of FDA points.");
 
     int frameValue;
     FrameType frameType = getFrameTypeAndSkipValue(frameString, frameValue);

diff --git a/src/gromacs/gmxana/gmx_fda_view_stress.cpp b/src/gromacs/gmxana/gmx_fda_view_stress.cpp
@@ -116,7 +116,6 @@ int gmx_fda_view_stress(int argc, char *argv[])
     if (ftp2fn_null(efNDX, NFILE, fnm)) {
         fprintf(stderr, "\nSelect group for residue model points:\n");
         rd_index(ftp2fn(efNDX, NFILE, fnm), 1, &isize, &index, &grpname);
-        if (isize != nbParticles) gmx_fatal(FARGS, "Number of atoms in group does not match number of FDA points.");
     }
 
     #ifdef PRINT_DEBUG