mk_angndx

Main Table of Contents

VERSION 4.6.5
Mon 2 Dec 2013


Description

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.

Files

optionfilenametypedescription
-s topol.tpr Input Run input file: tpr tpb tpa
-n angle.ndx Output Index file

Other options

optiontypedefaultdescription
-[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


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