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C++ program help
Post 302256664 by jim mcnamara on Monday 10th of November 2008 10:30:44 AM
11-10-2008
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LEARN ABOUT DEBIAN
gmxdump
gmxdump(1) GROMACS suite, VERSION 4.5.4-dev-20110404-bc5695c gmxdump(1) NAME
gmxdump - makes binary files human readable VERSION 4.5.4-dev-20110404-bc5695c SYNOPSIS
gmxdump -s topol.tpr -f traj.xtc -e ener.edr -cp state.cpt -p topol.top -mtx hessian.mtx -om grompp.mdp -[no]h -[no]version -nice int -[no]nr -[no]sys DESCRIPTION
gmxdump reads a run input file ( .tpa/ .tpr/ .tpb), a trajectory ( .trj/ .trr/ .xtc), an energy file ( .ene/ .edr), or a checkpoint file ( .cpt) and prints that to standard output in a readable format. This program is essential for checking your run input file in case of prob- lems. The program can also preprocess a topology to help finding problems. Note that currently setting GMXLIB is the only way to customize directories used for searching include files. FILES
-s topol.tpr Input, Opt. Run input file: tpr tpb tpa -f traj.xtc Input, Opt. Trajectory: xtc trr trj gro g96 pdb cpt -e ener.edr Input, Opt. Energy file -cp state.cpt Input, Opt. Checkpoint file -p topol.top Input, Opt. Topology file -mtx hessian.mtx Input, Opt. Hessian matrix -om grompp.mdp Output, Opt. grompp input file with MD parameters OTHER OPTIONS
-[no]hno Print help info and quit -[no]versionno Print version info and quit -nice int 0 Set the nicelevel -[no]nryes Show index numbers in output (leaving them out makes comparison easier, but creates a useless topology) -[no]sysno List the atoms and bonded interactions for the whole system instead of for each molecule type SEE ALSO
gromacs(7) More information about GROMACS is available at <http://www.gromacs.org/>. Mon 4 Apr 2011 gmxdump(1)