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mk_angndxMain Table of Contents |
VERSION 3.1
Thu 28 Feb 2002
| VERSION 3.1 |
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 | Generic run input: tpr tpb tpa |
| -n | angle.ndx | Output | Index file |
| option | type | default | description |
|---|---|---|---|
| -[no]h | bool | no | Print help info and quit |
| -[no]X | bool | no | Use dialog box GUI to edit command line options |
| -nice | int | 0 | Set the nicelevel |
| -type | enum | angle | Type of angle: angle, g96-angle, dihedral, improper, ryckaert-bellemans or phi-psi |