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mk_angndxMain Table of Contents |
VERSION 4.6.3
Fri 5 Jul 2013
| VERSION 4.6.3 |
mk_angndx makes an index file for calculation of angle distributions etc. It uses a run input file (.tpx) for the definitions of the angles, dihedrals etc.
| option | filename | type | description |
|---|---|---|---|
| -s | topol.tpr | Input | Run input file: tpr tpb tpa |
| -n | angle.ndx | Output | Index file |
| option | type | default | description |
|---|---|---|---|
| -[no]h | bool | no | Print help info and quit |
| -[no]version | bool | no | Print version info and quit |
| -nice | int | 0 | Set the nicelevel |
| -type | enum | angle | Type of angle: angle, dihedral, improper or ryckaert-bellemans |
| -[no]hyd | bool | yes | Include angles with atoms with mass < 1.5 |
| -hq | real | -1 | Ignore angles with atoms with mass < 1.5 and magnitude of their charge less than this value |