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gromacs-data

GROMACS molecular dynamics sim, data and documentation

GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.

It is primarily designed for biochemical molecules like proteins and lipids that have a lot of complicated bonded interactions, but since GROMACS is extremely fast at calculating the nonbonded interactions (that usually dominate simulations) many groups are also using it for research on non- biological systems, e.g. polymers.

This package contains architecture-independent topology and force field data, documentation, man pages, and example files.

Homepage:
Package version:4.0.7-3
Architecture:all
Distribution:Debian
Filename:gromacs-data_4.0.7-3_all.deb

/usr/share/man/man1/anadock.1.gz

anadock(1)          GROMACS suite, VERSION 4.0.1          anadock(1)



NAME
       anadock - cluster structures from Autodock runs

       VERSION 4.0.1

SYNOPSIS
       anadock  -f  eiwit.pdb  -ox  cluster.pdb  -od edocked.xvg -of
       efree.xvg -g anadock.log -[no]h -nice int -[no]xvgr -[no]free
       -[no]rms -cutoff real

DESCRIPTION
       anadock  analyses the results of an Autodock run 
more»

/usr/share/man/man1/demux.1.gz

demux(1)                                                    demux(1)



NAME
       demux - Convert XPLOR distance restraints to Gromacs format

SYNOPSIS
       demux md0.log extra

DESCRIPTION
       If  you would like to make your trajectories continuous again
       you can use demux to read your md0.log file (you can concateā€
       nate  several  if  necessary) and produce a few output file
more»

/usr/share/man/man1/do_dssp.1.gz

do_dssp(1)          GROMACS suite, VERSION 4.0.1          do_dssp(1)



NAME
       do_dssp  - assigns secondary structure and calculates solvent
       accessible surface area

       VERSION 4.0.1

SYNOPSIS
       do_dssp  -f  traj.xtc  -s  topol.tpr  -n  index.ndx   -ssdump
       ssdump.dat  -map  ss.map -o ss.xpm -sc scount.xvg -a area.xpm
       -ta totarea.xvg -aa averarea.xvg -[no]h -nice 
more»

/usr/share/man/man1/editconf.1.gz

editconf(1)         GROMACS suite, VERSION 4.0.1         editconf(1)



NAME
       editconf - edits
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/usr/share/man/man1/eneconv.1.gz

eneconv(1)          GROMACS suite, VERSION 4.0.1          eneconv(1)



NAME
       eneconv - conver
more»

/usr/share/man/man1/g_anaeig.1.gz

g_anaeig(1)         GROMACS suite, VERSION 4.0.1         g_anaeig(1)



NAME
       g_anaeig - analy
more»

/usr/share/man/man1/g_analyze.1.gz

g_analyze(1)        GROMACS suite, VERSION 4.0.1        g_analyze(1)



NAME
       g_analyze - anal
more»

/usr/share/man/man1/g_angle.1.gz

g_angle(1)          GROMACS suite, VERSION 4.0.1          g_angle(1)



NAME
       g_angle  -  calc
more»

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