g_saltbr

Main Table of Contents

VERSION 4.5
Thu 26 Aug 2010


Description

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

Files

optionfilenametypedescription
-f traj.xtc Input Trajectory: xtc trr trj gro g96 pdb cpt
-s topol.tpr Input Run input file: tpr tpb tpa

Other options

optiontypedefaultdescription
-[no]h gmx_bool no Print help info and quit
-[no]version gmx_bool no Print version info and quit
-nice int 19 Set the nicelevel
-b time 0 First frame (ps) to read from trajectory
-e time 0 Last frame (ps) to read from trajectory
-dt time 0 Only use frame when t MOD dt = first time (ps)
-t real 1000 trunc distance
-[no]sep gmx_bool no Use separate files for each interaction (may be MANY)


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