"This causes (usually small) discrepancies with the output of other "
"tools like [gmx-rama].",
"[TT]-r0[tt] option does not work properly",
- "Rotamers with multiplicity 2 are printed in [TT]chi.log[tt] as if they had "
+ "Rotamers with multiplicity 2 are printed in [TT]chi.log[tt] as if they had ",
"multiplicity 3, with the 3rd (g(+)) always having probability 0"
};
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2017,2019, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2017,2019,2020, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
int gmx_rama(int argc, char* argv[])
{
const char* desc[] = {
- "[THISMODULE] selects the [GRK]phi[grk]/[GRK]psi[grk] dihedral combinations from "
- "your topology file",
- "and computes these as a function of time.",
- "Using simple Unix tools such as [IT]grep[it] you can select out", "specific residues."
+ "[THISMODULE] selects the [GRK]phi[grk]/[GRK]psi[grk] dihedral combinations from ",
+ "your topology file and computes these as a function of time.",
+ "Using simple Unix tools such as [IT]grep[it] you can select out specific residues."
};
FILE* out;
const char* desc[] = {
"[THISMODULE] plots a helical wheel representation of your sequence.",
"The input sequence is in the [REF].dat[ref] file where the first line contains",
- "the number of residues and each consecutive line contains a residue "
- "name."
+ "the number of residues and each consecutive line contains a residue name."
};
gmx_output_env_t* oenv;
static real rot0 = 0;
const char* bugs[] = {
"The atom type selection is primitive. Virtually no chemical knowledge is used",
"Periodic boundary conditions screw up the bonding", "No improper dihedrals are generated",
- "The atoms to atomtype translation table is incomplete ([TT]atomname2type.n2t[tt] file in "
+ "The atoms to atomtype translation table is incomplete ([TT]atomname2type.n2t[tt] file in",
"the data directory). Please extend it and send the results back to the GROMACS crew."
};
FILE* fp;