1CSG_ORIENTCORR(1)           General Commands Manual          CSG_ORIENTCORR(1)
2
3
4

NAME

6       csg_orientcorr - Part of the VOTCA package
7
8
9

SYNOPSIS

11       csg_orientcorr [OPTIONS]
12
13       csg_orientcorr [--help]
14
15
16

DESCRIPTION

18       Calculates the orientational correlation function <3/2*u(0)*u(r) - 1/2>
19       for a polymer melt, where u is the vector pointing along a bond and r
20       the distance between bond segments (centered on middle of bond).
21
22       The output is correlation.dat (with intra-molecular contributions) and
23       correlation_excl.dat, where inter-molecular contributions are excluded.
24
25
26
27
28

OPTIONS

30       Allowed options:
31
32         -h [ --help ]               display this help and exit
33         --verbose                   be loud and noisy
34         --verbose1                  be very loud and noisy
35         -v [ --verbose2 ]           be extremly loud and noisy
36         --top arg                   atomistic topology file
37
38       Neighbor search options:
39
40         -c [ --cutoff ] arg (=1)  cutoff for the neighbor search
41         --nbins arg (=40)         number of bins for the grid
42         --nbmethod arg (=grid)    neighbor search algorithm (simple or grid)
43
44       Threading options:
45
46         --nt arg (=1)               number of threads
47
48       Trajectory options:
49
50         --trj arg                   atomistic trajectory file
51         --begin arg (=0)            skip frames before this time (only works
52       for
53                                   Gromacs files)
54         --first-frame arg (=0)      start with this frame
55         --nframes arg               process the given number of frames
56
57

AUTHORS

59       Written and maintained by the VOTCA Development Team <devs@votca.org>
60
61
62

64       Copyright 2009-2021 The VOTCA Development Team (http://www.votca.org)
65
66       Licensed under the Apache License, Version 2.0 (the "License"); you may
67       not use this  file except in compliance with the License.  You may
68       obtain a copy of the License at
69
70              http://www.apache.org/licenses/LICENSE-2.0
71
72       Unless  required by applicable law or agreed to in writing, software
73       distributed under the License is distributed on an "AS IS" BASIS,
74       WITHOUT WARRANTIES OR CONDITIONS OF ANY  KIND, either  express  or
75       implied.   See  the  License  for  the  specific  language  governing
76       permissions and limitations under the License.
77
78
79
80
81VOTCA Development Team     csg_orientcorr User Manual        CSG_ORIENTCORR(1)
Impressum