Move read_tps_conf() to confio.h

[alexxy/gromacs.git] / src / gromacs / gmxana / gmx_make_edi.c

diff --git a/src/gromacs/gmxana/gmx_make_edi.c b/src/gromacs/gmxana/gmx_make_edi.c
index 093c8fdd3cfcff259930b360d3a2a18621092e66..e33ddc7eead7e42dd8bd4a22a1b5e97462e1ddc5 100644 (file)
--- a/src/gromacs/gmxana/gmx_make_edi.c
+++ b/src/gromacs/gmxana/gmx_make_edi.c
@@ -46,7 +46,6 @@
 #include "gromacs/commandline/pargs.h"
 #include "gromacs/fileio/confio.h"
 #include "gromacs/fileio/pdbio.h"
-#include "gromacs/fileio/tpxio.h"
 #include "gromacs/fileio/xvgr.h"
 #include "gromacs/gmxana/eigio.h"
 #include "gromacs/legacyheaders/macros.h"
@@ -579,14 +578,14 @@ int gmx_make_edi(int argc, char *argv[])
         "to keep the position along a certain (set of) coordinate(s) fixed ([TT]-linfix[tt]),",
         "or to only monitor the projections of the positions onto",
         "these coordinates ([TT]-mon[tt]).[PAR]",
-        "References:[BR]",
+        "References:[PAR]",
         "A. Amadei, A.B.M. Linssen, B.L. de Groot, D.M.F. van Aalten and ",
         "H.J.C. Berendsen; An efficient method for sampling the essential subspace ",
-        "of proteins., J. Biomol. Struct. Dyn. 13:615-626 (1996)[BR]",
+        "of proteins., J. Biomol. Struct. Dyn. 13:615-626 (1996)[PAR]",
         "B.L. de Groot, A. Amadei, D.M.F. van Aalten and H.J.C. Berendsen; ",
         "Towards an exhaustive sampling of the configurational spaces of the ",
         "two forms of the peptide hormone guanylin,",
-        "J. Biomol. Struct. Dyn. 13 : 741-751 (1996)[BR]",
+        "J. Biomol. Struct. Dyn. 13 : 741-751 (1996)[PAR]",
         "B.L. de Groot, A.Amadei, R.M. Scheek, N.A.J. van Nuland and H.J.C. Berendsen; ",
         "An extended sampling of the configurational space of HPr from E. coli",
         "Proteins: Struct. Funct. Gen. 26: 314-322 (1996)",
@@ -628,10 +627,11 @@ int gmx_make_edi(int argc, char *argv[])
         "[BB]Note[bb] that you can impose multiple ED constraints and flooding potentials in",
         "a single simulation (on different molecules) if several [REF].edi[ref] files were concatenated",
         "first. The constraints are applied in the order they appear in the [REF].edi[ref] file. ",
-        "Depending on what was specified in the [REF].edi[ref] input file, the output file contains for each ED dataset[PAR]",
-        "[TT]*[tt] the RMSD of the fitted molecule to the reference structure (for atoms involved in fitting prior to calculating the ED constraints)[BR]",
-        "[TT]*[tt] projections of the positions onto selected eigenvectors[BR]",
-        "[PAR][PAR]",
+        "Depending on what was specified in the [REF].edi[ref] input file, the output file contains for each ED dataset",
+        "",
+        " * the RMSD of the fitted molecule to the reference structure (for atoms involved in fitting prior to calculating the ED constraints)",
+        " * projections of the positions onto selected eigenvectors",
+        "",
         "FLOODING:[PAR]",
         "with [TT]-flood[tt], you can specify which eigenvectors are used to compute a flooding potential,",
         "which will lead to extra forces expelling the structure out of the region described",