1 .TH g_hydorder 1 "Mon 4 Apr 2011" "" "GROMACS suite, VERSION 4.5.4-dev-20110404-bc5695c"
4 .B VERSION 4.5.4-dev-20110404-bc5695c
8 .BI "\-n" " index.ndx "
9 .BI "\-s" " topol.tpr "
10 .BI "\-o" " intf.xpm "
11 .BI "\-or" " raw.out "
12 .BI "\-Spect" " intfspect.out "
14 .BI "\-[no]version" ""
22 .BI "\-sgang1" " real "
23 .BI "\-sgang2" " real "
24 .BI "\-tblock" " int "
25 .BI "\-nlevel" " int "
27 \&The tetrahedrality order parameters can be determined
28 \&around an atom. Both angle an distance order parameters are calculated. See
29 \&P.\-L. Chau and A.J. Hardwick, Mol. Phys., 93, (1998), 511\-518.
31 This application calculates the orderparameter in a 3d\-mesh in the box, and
32 \&with 2 phases in the box gives the user the option to define a 2D interface in time
33 \&separating the faces by specifying parameters \-sgang1 and \-sgang2 (It is important
34 \&to select these judiciously)
38 Trajectory: xtc trr trj gro g96 pdb cpt
40 .BI "\-n" " index.ndx"
44 .BI "\-s" " topol.tpr"
46 Run input file: tpr tpb tpa
50 X PixMap compatible matrix file
53 .B Output, Opt., Mult.
56 .BI "\-Spect" " intfspect.out"
57 .B Output, Opt., Mult.
62 Print help info and quit
64 .BI "\-[no]version" "no "
65 Print version info and quit
67 .BI "\-nice" " int" " 19"
70 .BI "\-b" " time" " 0 "
71 First frame (ps) to read from trajectory
73 .BI "\-e" " time" " 0 "
74 Last frame (ps) to read from trajectory
76 .BI "\-dt" " time" " 0 "
77 Only use frame when t MOD dt = first time (ps)
80 View output \fB .xvg\fR, \fB .xpm\fR, \fB .eps\fR and \fB .pdb\fR files
82 .BI "\-d" " enum" " z"
83 Direction of the normal on the membrane: \fB z\fR, \fB x\fR or \fB y\fR
85 .BI "\-bw" " real" " 1 "
88 .BI "\-sgang1" " real" " 1 "
89 tetrahedral angle parameter in Phase 1 (bulk)
91 .BI "\-sgang2" " real" " 1 "
92 tetrahedral angle parameter in Phase 2 (bulk)
94 .BI "\-tblock" " int" " 1"
95 Number of frames in one time\-block average
97 .BI "\-nlevel" " int" " 100"
98 Number of Height levels in 2D \- XPixMaps
103 More information about \fBGROMACS\fR is available at <\fIhttp://www.gromacs.org/\fR>.