1g_saltbr(1)               GROMACS suite, VERSION 4.5               g_saltbr(1)
2
3
4

NAME

6       g_saltbr - computes salt bridges
7
8       VERSION 4.5
9

SYNOPSIS

11       g_saltbr -f traj.xtc -s topol.tpr -[no]h -[no]version -nice int -b time
12       -e time -dt time -t real -[no]sep
13

DESCRIPTION

15       g_saltbr plots the distance between all combination of  charged  groups
16       as  a  function  of time. The groups are combined in different ways.  A
17       minimum distance can be given, (eg. the cut-off), then groups that  are
18       never closer than that distance will not be plotted.
19
20       Output   will   be   in  a  number  of  fixed  filenames,  min-min.xvg,
21       plus-min.xvg and plus-plus.xvg, or files for every individual  ion-pair
22       if  the   -sep  option  is  selected.  In  this case files are named as
23       sb-ResnameResnr-Atomnr.  There may be many such files.
24

FILES

26       -f traj.xtc Input
27        Trajectory: xtc trr trj gro g96 pdb cpt
28
29       -s topol.tpr Input
30        Run input file: tpr tpb tpa
31
32

OTHER OPTIONS

34       -[no]hno
35        Print help info and quit
36
37       -[no]versionno
38        Print version info and quit
39
40       -nice int 19
41        Set the nicelevel
42
43       -b time 0
44        First frame (ps) to read from trajectory
45
46       -e time 0
47        Last frame (ps) to read from trajectory
48
49       -dt time 0
50        Only use frame when t MOD dt = first time (ps)
51
52       -t real 1000
53        trunc distance
54
55       -[no]sepno
56        Use separate files for each interaction (may be MANY)
57
58

SEE ALSO

60       gromacs(7)
61
62       More  information  about  GROMACS  is  available  at   <http://www.gro‐
63       macs.org/>.
64
65
66
67                                Thu 26 Aug 2010                    g_saltbr(1)
Impressum