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g_mk_angndx
Langue: en
Version: 372837 (fedora - 01/12/10)
Section: 1 (Commandes utilisateur)
NAME
mk_angndx - generates index files for g_angleVERSION 4.5
SYNOPSIS
mk_angndx -s topol.tpr -n angle.ndx -[no]h -[no]version -nice int -type enum -[no]hyd -hq realDESCRIPTION
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
-s topol.tpr InputRun input file: tpr tpb tpa
-n angle.ndx Output
Index file
OTHER OPTIONS
-[no]hnoPrint help info and quit
-[no]versionno
Print version info and quit
-nice int 0
Set the nicelevel
-type enum angle
Type of angle: angle, dihedral, improper or ryckaert-bellemans
-[no]hydyes
Include angles with atoms with mass 1.5
-hq real -1
Ignore angles with atoms with mass 1.5 and |q| hq
SEE ALSO
gromacs(7)More information about GROMACS is available at <http://www.gromacs.org/>.
Contenus ©2006-2024 Benjamin Poulain
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