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mk_angndx

mk_angndx

Section: GROMACS suite, VERSION 4.5 (1) Updated: Thu 26 Aug 2010
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NAME

mk_angndx - generates index files for g_angle

VERSION 4.5  

SYNOPSIS

mk_angndx -s topol.tpr -n angle.ndx -[no]h -[no]version -nice int -type enum -[no]hyd -hq real  

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

-s topol.tpr Input
 Run input file: tpr tpb tpa 

-n angle.ndx Output
 Index file 

 

OTHER OPTIONS

-[no]hno
 Print 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/>.


 

Index

NAME
SYNOPSIS
DESCRIPTION
FILES
OTHER OPTIONS
SEE ALSO

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Time: 21:23:55 GMT, April 16, 2011