-.TH do_dssp 1 "Thu 5 Jul 2001"
+.TH do_dssp 1 "Mon 23 Jul 2001"
.SH NAME
do_dssp
.B VERSION 3.0
-.TH editconf 1 "Thu 5 Jul 2001"
+.TH editconf 1 "Mon 23 Jul 2001"
.SH NAME
editconf
.B VERSION 3.0
-.TH eneconv 1 "Thu 5 Jul 2001"
+.TH eneconv 1 "Mon 23 Jul 2001"
.SH NAME
eneconv
.B VERSION 3.0
-.TH g_anaeig 1 "Thu 5 Jul 2001"
+.TH g_anaeig 1 "Mon 23 Jul 2001"
.SH NAME
g_anaeig
.B VERSION 3.0
-.TH g_analyze 1 "Thu 5 Jul 2001"
+.TH g_analyze 1 "Mon 23 Jul 2001"
.SH NAME
g_analyze
.B VERSION 3.0
-.TH g_angle 1 "Thu 5 Jul 2001"
+.TH g_angle 1 "Mon 23 Jul 2001"
.SH NAME
g_angle
.B VERSION 3.0
-.TH g_bond 1 "Thu 5 Jul 2001"
+.TH g_bond 1 "Mon 23 Jul 2001"
.SH NAME
g_bond
.B VERSION 3.0
-.TH g_bundle 1 "Thu 5 Jul 2001"
+.TH g_bundle 1 "Mon 23 Jul 2001"
.SH NAME
g_bundle
.B VERSION 3.0
.BI "-n" " index.ndx "
.BI "-ol" " bun_len.xvg "
.BI "-od" " bun_dist.xvg "
+.BI "-oz" " bun_z.xvg "
.BI "-ot" " bun_tilt.xvg "
.BI "-otr" " bun_tiltr.xvg "
.BI "-otl" " bun_tiltl.xvg "
+.BI "-ok" " bun_kink.xvg "
+.BI "-okr" " bun_kinkr.xvg "
+.BI "-okl" " bun_kinkl.xvg "
.BI "-oa" " axes.pdb "
.BI "-[no]h" ""
.BI "-[no]X" ""
.BI "-b" " time "
.BI "-e" " time "
.BI "-dt" " time "
+.BI "-tu" " enum "
.BI "-na" " int "
.BI "-[no]z" ""
.SH DESCRIPTION
helix axes. The program reads two index groups and divides both
of them in
.B -na
-parts. The groups define the tops and
-bottoms of the axes. Several quantities are written to file:
-the axis length, the distance from the axis centers to the average
-center of all axes, the total tilt, the radial tilt and the lateral
-tilt with respect to the average axis.
+parts. The centers of mass of these parts
+define the tops and bottoms of the axes.
+Several quantities are written to file:
+the axis length, the distance and the z-shift of the axis mid-points
+with respect to the average center of all axes, the total tilt,
+the radial tilt and the lateral tilt with respect to the average axis.
+
+
+
+With options
+.B -ok
+,
+.B -okr
+and
+.B -okl
+the total,
+radial and lateral kinks of the axes are plotted. An extra index
+group of kink atoms is required, which is also divided into
+.B -na
+
+parts. The kink angle is defined as the angle between the kink-top and
+the bottom-kink vectors.
With option
.B -oa
-the top, mid and bottom points of each axis
+the top, mid (or kink when
+.B -ok
+is set)
+and bottom points of each axis
are written to a pdb file each frame. The residue numbers correspond
to the axis numbers. When viewing this file with
.B rasmol
-use the
+, use the
command line option
.B -nmrpdb
, and type
.B Output
xvgr/xmgr file
+.BI "-oz" " bun_z.xvg"
+.B Output
+ xvgr/xmgr file
+
.BI "-ot" " bun_tilt.xvg"
.B Output
xvgr/xmgr file
.B Output
xvgr/xmgr file
+.BI "-ok" " bun_kink.xvg"
+.B Output, Opt.
+ xvgr/xmgr file
+
+.BI "-okr" " bun_kinkr.xvg"
+.B Output, Opt.
+ xvgr/xmgr file
+
+.BI "-okl" " bun_kinkl.xvg"
+.B Output, Opt.
+ xvgr/xmgr file
+
.BI "-oa" " axes.pdb"
.B Output, Opt.
Protein data bank file
.BI "-dt" " time" " -1"
Only use frame when t MOD dt = first time (ps)
+.BI "-tu" " enum" " ps"
+ Time unit:
+.B ps
+,
+.B fs
+,
+.B ns
+,
+.B us
+,
+.B ms
+,
+.B s
+,
+.B m
+or
+.B h
+
+
.BI "-na" " int" " 0"
Number of axes
-.TH g_chi 1 "Thu 5 Jul 2001"
+.TH g_chi 1 "Mon 23 Jul 2001"
.SH NAME
g_chi
.B VERSION 3.0
-.TH g_cluster 1 "Thu 5 Jul 2001"
+.TH g_cluster 1 "Mon 23 Jul 2001"
.SH NAME
g_cluster
.B VERSION 3.0
-.TH g_confrms 1 "Thu 5 Jul 2001"
+.TH g_confrms 1 "Mon 23 Jul 2001"
.SH NAME
g_confrms
.B VERSION 3.0
-.TH g_covar 1 "Thu 5 Jul 2001"
+.TH g_covar 1 "Mon 23 Jul 2001"
.SH NAME
g_covar
.B VERSION 3.0
.BI "-b" " time "
.BI "-e" " time "
.BI "-dt" " time "
+.BI "-tu" " enum "
.BI "-[no]fit" ""
.BI "-[no]ref" ""
.BI "-[no]mwa" ""
.BI "-dt" " time" " -1"
Only use frame when t MOD dt = first time (ps)
+.BI "-tu" " enum" " ps"
+ Time unit:
+.B ps
+,
+.B fs
+,
+.B ns
+,
+.B us
+,
+.B ms
+,
+.B s
+,
+.B m
+or
+.B h
+
+
.BI "-[no]fit" " yes"
Fit to a reference structure
-.TH g_density 1 "Thu 5 Jul 2001"
+.TH g_density 1 "Mon 23 Jul 2001"
.SH NAME
g_density
.B VERSION 3.0
-.TH g_dielectric 1 "Thu 5 Jul 2001"
+.TH g_dielectric 1 "Mon 23 Jul 2001"
.SH NAME
g_dielectric
.B VERSION 3.0
-.TH g_dih 1 "Thu 5 Jul 2001"
+.TH g_dih 1 "Mon 23 Jul 2001"
.SH NAME
g_dih
.B VERSION 3.0
-.TH g_dipoles 1 "Thu 5 Jul 2001"
+.TH g_dipoles 1 "Mon 23 Jul 2001"
.SH NAME
g_dipoles
.B VERSION 3.0
-.TH g_disre 1 "Thu 5 Jul 2001"
+.TH g_disre 1 "Mon 23 Jul 2001"
.SH NAME
g_disre
.B VERSION 3.0
-.TH g_dist 1 "Thu 5 Jul 2001"
+.TH g_dist 1 "Mon 23 Jul 2001"
.SH NAME
g_dist
.B VERSION 3.0
-.TH g_dyndom 1 "Thu 5 Jul 2001"
+.TH g_dyndom 1 "Mon 23 Jul 2001"
.SH NAME
g_dyndom
.B VERSION 3.0
-.TH g_enemat 1 "Thu 5 Jul 2001"
+.TH g_enemat 1 "Mon 23 Jul 2001"
.SH NAME
g_enemat
.B VERSION 3.0
-.TH g_energy 1 "Thu 5 Jul 2001"
+.TH g_energy 1 "Mon 23 Jul 2001"
.SH NAME
g_energy
.B VERSION 3.0
-.TH g_gyrate 1 "Thu 5 Jul 2001"
+.TH g_gyrate 1 "Mon 23 Jul 2001"
.SH NAME
g_gyrate
.B VERSION 3.0
-.TH g_h2order 1 "Thu 5 Jul 2001"
+.TH g_h2order 1 "Mon 23 Jul 2001"
.SH NAME
g_h2order
.B VERSION 3.0
-.TH g_hbond 1 "Thu 5 Jul 2001"
+.TH g_hbond 1 "Mon 23 Jul 2001"
.SH NAME
g_hbond
.B VERSION 3.0
-.TH g_helix 1 "Thu 5 Jul 2001"
+.TH g_helix 1 "Mon 23 Jul 2001"
.SH NAME
g_helix
.B VERSION 3.0
-.TH g_lie 1 "Thu 5 Jul 2001"
+.TH g_lie 1 "Mon 23 Jul 2001"
.SH NAME
g_lie
.B VERSION 3.0
-.TH g_mdmat 1 "Thu 5 Jul 2001"
+.TH g_mdmat 1 "Mon 23 Jul 2001"
.SH NAME
g_mdmat
.B VERSION 3.0
-.TH g_mindist 1 "Thu 5 Jul 2001"
+.TH g_mindist 1 "Mon 23 Jul 2001"
.SH NAME
g_mindist
.B VERSION 3.0
-.TH g_morph 1 "Thu 5 Jul 2001"
+.TH g_morph 1 "Mon 23 Jul 2001"
.SH NAME
g_morph
.B VERSION 3.0
-.TH g_msd 1 "Thu 5 Jul 2001"
+.TH g_msd 1 "Mon 23 Jul 2001"
.SH NAME
g_msd
.B VERSION 3.0
-.TH g_nmeig 1 "Thu 5 Jul 2001"
+.TH g_nmeig 1 "Mon 23 Jul 2001"
.SH NAME
g_nmeig
.B VERSION 3.0
-.TH g_nmens 1 "Thu 5 Jul 2001"
+.TH g_nmens 1 "Mon 23 Jul 2001"
.SH NAME
g_nmens
.B VERSION 3.0
-.TH g_order 1 "Thu 5 Jul 2001"
+.TH g_order 1 "Mon 23 Jul 2001"
.SH NAME
g_order
.B VERSION 3.0
-.TH g_potential 1 "Thu 5 Jul 2001"
+.TH g_potential 1 "Mon 23 Jul 2001"
.SH NAME
g_potential
.B VERSION 3.0
-.TH g_rama 1 "Thu 5 Jul 2001"
+.TH g_rama 1 "Mon 23 Jul 2001"
.SH NAME
g_rama
.B VERSION 3.0
-.TH g_rdf 1 "Thu 5 Jul 2001"
+.TH g_rdf 1 "Mon 23 Jul 2001"
.SH NAME
g_rdf
.B VERSION 3.0
-.TH g_rms 1 "Thu 5 Jul 2001"
+.TH g_rms 1 "Mon 23 Jul 2001"
.SH NAME
g_rms
.B VERSION 3.0
-.TH g_rmsdist 1 "Thu 5 Jul 2001"
+.TH g_rmsdist 1 "Mon 23 Jul 2001"
.SH NAME
g_rmsdist
.B VERSION 3.0
-.TH g_rmsf 1 "Thu 5 Jul 2001"
+.TH g_rmsf 1 "Mon 23 Jul 2001"
.SH NAME
g_rmsf
.B VERSION 3.0
-.TH g_rotacf 1 "Thu 5 Jul 2001"
+.TH g_rotacf 1 "Mon 23 Jul 2001"
.SH NAME
g_rotacf
.B VERSION 3.0
-.TH g_saltbr 1 "Thu 5 Jul 2001"
+.TH g_saltbr 1 "Mon 23 Jul 2001"
.SH NAME
g_saltbr
.B VERSION 3.0
-.TH g_sas 1 "Thu 5 Jul 2001"
+.TH g_sas 1 "Mon 23 Jul 2001"
.SH NAME
g_sas
.B VERSION 3.0
-.TH g_sgangle 1 "Thu 5 Jul 2001"
+.TH g_sgangle 1 "Mon 23 Jul 2001"
.SH NAME
g_sgangle
.B VERSION 3.0
-.TH g_sorient 1 "Thu 5 Jul 2001"
+.TH g_sorient 1 "Mon 23 Jul 2001"
.SH NAME
g_sorient
.B VERSION 3.0
-.TH g_tcaf 1 "Thu 5 Jul 2001"
+.TH g_tcaf 1 "Mon 23 Jul 2001"
.SH NAME
g_tcaf
.B VERSION 3.0
-.TH g_traj 1 "Thu 5 Jul 2001"
+.TH g_traj 1 "Mon 23 Jul 2001"
.SH NAME
g_traj
.B VERSION 3.0
.BI "-b" " time "
.BI "-e" " time "
.BI "-dt" " time "
+.BI "-tu" " enum "
.BI "-[no]w" ""
.BI "-[no]com" ""
.BI "-[no]mol" ""
.BI "-dt" " time" " -1"
Only use frame when t MOD dt = first time (ps)
+.BI "-tu" " enum" " ps"
+ Time unit:
+.B ps
+,
+.B fs
+,
+.B ns
+,
+.B us
+,
+.B ms
+,
+.B s
+,
+.B m
+or
+.B h
+
+
.BI "-[no]w" " no"
View output xvg, xpm, eps and pdb files
-.TH g_velacc 1 "Thu 5 Jul 2001"
+.TH g_velacc 1 "Mon 23 Jul 2001"
.SH NAME
g_velacc
.B VERSION 3.0
-.TH genbox 1 "Thu 5 Jul 2001"
+.TH genbox 1 "Mon 23 Jul 2001"
.SH NAME
genbox
.B VERSION 3.0
-.TH genconf 1 "Thu 5 Jul 2001"
+.TH genconf 1 "Mon 23 Jul 2001"
.SH NAME
genconf
.B VERSION 3.0
-.TH genion 1 "Thu 5 Jul 2001"
+.TH genion 1 "Mon 23 Jul 2001"
.SH NAME
genion
.B VERSION 3.0
-.TH genpr 1 "Thu 5 Jul 2001"
+.TH genpr 1 "Mon 23 Jul 2001"
.SH NAME
genpr
.B VERSION 3.0
-.TH gmxcheck 1 "Thu 5 Jul 2001"
+.TH gmxcheck 1 "Mon 23 Jul 2001"
.SH NAME
gmxcheck
.B VERSION 3.0
-.TH gmxdump 1 "Thu 5 Jul 2001"
+.TH gmxdump 1 "Mon 23 Jul 2001"
.SH NAME
gmxdump
.B VERSION 3.0
-.TH grompp 1 "Thu 5 Jul 2001"
+.TH grompp 1 "Mon 23 Jul 2001"
.SH NAME
grompp
.B VERSION 3.0
-.TH highway 1 "Thu 5 Jul 2001"
+.TH highway 1 "Mon 23 Jul 2001"
.SH NAME
highway
.B VERSION 3.0
-.TH make_ndx 1 "Thu 5 Jul 2001"
+.TH make_ndx 1 "Mon 23 Jul 2001"
.SH NAME
make_ndx
.B VERSION 3.0
-.TH mdrun 1 "Thu 5 Jul 2001"
+.TH mdrun 1 "Mon 23 Jul 2001"
.SH NAME
mdrun
.B VERSION 3.0
-.TH mk_angndx 1 "Thu 5 Jul 2001"
+.TH mk_angndx 1 "Mon 23 Jul 2001"
.SH NAME
mk_angndx
.B VERSION 3.0
-.TH ngmx 1 "Thu 5 Jul 2001"
+.TH ngmx 1 "Mon 23 Jul 2001"
.SH NAME
ngmx
.B VERSION 3.0
-.TH nmrun 1 "Thu 5 Jul 2001"
+.TH nmrun 1 "Mon 23 Jul 2001"
.SH NAME
nmrun
.B VERSION 3.0
-.TH pdb2gmx 1 "Thu 5 Jul 2001"
+.TH pdb2gmx 1 "Mon 23 Jul 2001"
.SH NAME
pdb2gmx
.B VERSION 3.0
-.TH protonate 1 "Thu 5 Jul 2001"
+.TH protonate 1 "Mon 23 Jul 2001"
.SH NAME
protonate
.B VERSION 3.0
-.TH tpbconv 1 "Thu 5 Jul 2001"
+.TH tpbconv 1 "Mon 23 Jul 2001"
.SH NAME
tpbconv
.B VERSION 3.0
-.TH trjcat 1 "Thu 5 Jul 2001"
+.TH trjcat 1 "Mon 23 Jul 2001"
.SH NAME
trjcat
.B VERSION 3.0
-.TH trjconv 1 "Thu 5 Jul 2001"
+.TH trjconv 1 "Mon 23 Jul 2001"
.SH NAME
trjconv
.B VERSION 3.0
-.TH trjorder 1 "Thu 5 Jul 2001"
+.TH trjorder 1 "Mon 23 Jul 2001"
.SH NAME
trjorder
.B VERSION 3.0
-.TH wheel 1 "Thu 5 Jul 2001"
+.TH wheel 1 "Mon 23 Jul 2001"
.SH NAME
wheel
.B VERSION 3.0
-.TH x2top 1 "Thu 5 Jul 2001"
+.TH x2top 1 "Mon 23 Jul 2001"
.SH NAME
x2top
.B VERSION 3.0
-.TH xpm2ps 1 "Thu 5 Jul 2001"
+.TH xpm2ps 1 "Mon 23 Jul 2001"
.SH NAME
xpm2ps
.B VERSION 3.0
-.TH xrama 1 "Thu 5 Jul 2001"
+.TH xrama 1 "Mon 23 Jul 2001"
.SH NAME
xrama
.B VERSION 3.0