1 .TH g_hydorder 1 "Fri 18 Jan 2013" "" "GROMACS suite, VERSION 4.5.6"
3 g_hydorder - computes tetrahedrality parameters around a given atom
9 .BI "\-n" " index.ndx "
10 .BI "\-s" " topol.tpr "
11 .BI "\-o" " intf.xpm "
12 .BI "\-or" " raw.out "
13 .BI "\-Spect" " intfspect.out "
15 .BI "\-[no]version" ""
23 .BI "\-sgang1" " real "
24 .BI "\-sgang2" " real "
25 .BI "\-tblock" " int "
26 .BI "\-nlevel" " int "
28 \&g_hydorder computes the tetrahedrality order parameters around a
29 \&given atom. Both angle an distance order parameters are calculated. See
30 \&P.\-L. Chau and A.J. Hardwick, Mol. Phys., 93, (1998), 511\-518.
32 This application calculates the orderparameter in a 3d\-mesh in the box, and
33 \&with 2 phases in the box gives the user the option to define a 2D interface in time
34 \&separating the faces by specifying parameters \-sgang1 and \-sgang2 (It is important
35 \&to select these judiciously)
39 Trajectory: xtc trr trj gro g96 pdb cpt
41 .BI "\-n" " index.ndx"
45 .BI "\-s" " topol.tpr"
47 Run input file: tpr tpb tpa
51 X PixMap compatible matrix file
54 .B Output, Opt., Mult.
57 .BI "\-Spect" " intfspect.out"
58 .B Output, Opt., Mult.
63 Print help info and quit
65 .BI "\-[no]version" "no "
66 Print version info and quit
68 .BI "\-nice" " int" " 19"
71 .BI "\-b" " time" " 0 "
72 First frame (ps) to read from trajectory
74 .BI "\-e" " time" " 0 "
75 Last frame (ps) to read from trajectory
77 .BI "\-dt" " time" " 0 "
78 Only use frame when t MOD dt = first time (ps)
81 View output \fB .xvg\fR, \fB .xpm\fR, \fB .eps\fR and \fB .pdb\fR files
83 .BI "\-d" " enum" " z"
84 Direction of the normal on the membrane: \fB z\fR, \fB x\fR or \fB y\fR
86 .BI "\-bw" " real" " 1 "
89 .BI "\-sgang1" " real" " 1 "
90 tetrahedral angle parameter in Phase 1 (bulk)
92 .BI "\-sgang2" " real" " 1 "
93 tetrahedral angle parameter in Phase 2 (bulk)
95 .BI "\-tblock" " int" " 1"
96 Number of frames in one time\-block average
98 .BI "\-nlevel" " int" " 100"
99 Number of Height levels in 2D \- XPixMaps
104 More information about \fBGROMACS\fR is available at <\fIhttp://www.gromacs.org/\fR>.