#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"
"[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",