1GMX-MK_ANGNDX(1)                    GROMACS                   GMX-MK_ANGNDX(1)
2
3
4

NAME

6       gmx-mk_angndx - Generate index files for 'gmx angle'
7

SYNOPSIS

9          gmx mk_angndx [-s [<.tpr>]] [-n [<.ndx>]] [-type <enum>] [-[no]hyd]
10                       [-hq <real>]
11

DESCRIPTION

13       gmx  mk_angndx  makes  an index file for calculation of angle distribu‐
14       tions etc. It uses a run input file (.tpx) for the definitions  of  the
15       angles, dihedrals etc.
16

OPTIONS

18       Options to specify input files:
19
20       -s [<.tpr>] (topol.tpr)
21              Portable xdr run input file
22
23       Options to specify output files:
24
25       -n [<.ndx>] (angle.ndx)
26              Index file
27
28       Other options:
29
30       -type <enum> (angle)
31              Type of angle: angle, dihedral, improper, ryckaert-bellemans
32
33       -[no]hyd (yes)
34              Include angles with atoms with mass < 1.5
35
36       -hq <real> (-1)
37              Ignore  angles with atoms with mass < 1.5 and magnitude of their
38              charge less than this value
39

SEE ALSO

41       gmx(1)
42
43       More    information    about    GROMACS    is    available    at     <‐
44       http://www.gromacs.org/>.
45

47       2019, GROMACS development team
48
49
50
51
522018.7                           May 29, 2019                 GMX-MK_ANGNDX(1)
Impressum