CHARMM c33b2 Documentation

CHARMM Introduction Developers Forums Links Literature News and Notes

Package Contents License Releases

Development Guide Schedule Test Cases Updates

Performance Parallel Performance GCC vs. IFORT Hierarchy Spac vs. Loop

Documentation Documentation Index Overview of Running CHARMM Version c34b1 Version c33b2 Version c32b2

CHARMM c33b2 Documentation

Quick Start

How to use CHARMM (usage.doc)
Read and write data (io.doc)
INFO starting point (charmm.doc)

Lists

Alphabetical Index of .doc Files
Full Alphabetic Table
Menu Item Extract of .doc Files
First 32 Lines of Each .doc File

Useful .doc Files

constraints & restraints (cons.doc)
coordinate manipulation and analysis (corman.doc)
time series, correlation functions (correl.doc)
dynamics & trajectory manipulation (dynamc.doc)
energy commands (energy.doc)
X11, GL & PostScript graphics (graphx.doc)
internal coordinate manipulation and analysis (intcor.doc)
energy minimization (minimiz.doc)
miscellaneous [but very useful] commands (miscom.doc)
nonbond options (nbonds.doc)
atom selection (select.doc)

Full List of Documentation (in alphabetic order)

ace.doc	adumb.doc	afm.doc	analys.doc
apbs.doc	aspenr.doc	aspenrmb.doc	block.doc
cadpac.doc	cca.doc	cff.doc	cfti.doc
changelog.doc	charmm.doc	charmm_gen.doc	charmmrate.doc
cheq.doc	commands.doc	cons.doc	corman.doc
correl.doc	crystl.doc	developer.doc	diesel.doc
drude.doc	dynamc.doc	eef1.doc	emap.doc
energy.doc	ensemble.doc	ewald.doc	fitcharge.doc
flucq.doc	fourd.doc	galgor.doc	gamess.doc
gamess-uk.doc	gbim.doc	gbmv.doc	gbsw.doc
genborn.doc	graphx.doc	grid.doc	hbonds.doc
hbuild.doc	hqbm.doc	images.doc	install.doc
intcor.doc	io.doc	lonepair.doc	lupopt.doc
mbond.doc	mc.doc	mcma.doc	minimiz.doc
miscom.doc	mmff.doc	mmff_params.doc	mmfp.doc
mndo97.doc	molvib.doc	monitor.doc	mts.doc
nbonds.doc	nmr.doc	nose.doc	overlap.doc
parallel.doc	parmfile.doc	pbeq.doc	pdetail.doc
pert.doc	perturb.doc	phmd.doc	pimplem.doc
preflx_list.doc	pressure.doc	qchem.doc	qmmm.doc
rdfsol.doc	repdstr.doc	replica.doc	rism.doc
rtop.doc	sasa.doc	sbound.doc	scalar.doc
sccdftb.doc	scpism.doc	select.doc	sgld.doc
shapes.doc	shell.doc	struct.doc	subst.doc
support.doc	testcase.doc	test.doc	tmd.doc
tpcntrl.doc	tps.doc	trek.doc	umbrel.doc
usage.doc	vibran.doc

CHARMM Development Project

CHARMM Documentation Index / btmiller@helix.nih.gov

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