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root/freemol/trunk/src/mengine/src
r103
File Last Change
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cutoffs.h 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
drugs.sdf 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
multi.h 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
pdb.h 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
query.h 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
caffeine.sdf 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
torsions.h 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
mmxconst.prm 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
atom_k.h 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
SConstruct 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
gmmx.h 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
mmff94.prm 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
bonds_ff.h 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
solv.h 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
utility.h 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
numeral.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
mengine.py 32 (11 years ago) by tjod: correct python script to use mengine.exe
LICENSE.txt 43 (11 years ago) by wdelano: add mengine license file
derivs.h 58 (11 years ago) by wdelano: code merge 20081130
mmxconst.h 58 (11 years ago) by wdelano: code merge 20081130
fix.h 58 (11 years ago) by wdelano: code merge 20081130
hessian.c 58 (11 years ago) by wdelano: code merge 20081130
sring.c 58 (11 years ago) by wdelano: code merge 20081130
tabulator.h 58 (11 years ago) by wdelano: code merge 20081130
mmff94.h 58 (11 years ago) by wdelano: code merge 20081130
eopbend.c 63 (11 years ago) by gilbertke: updated read_sdf type_mmx and first pass at using best practices
hess.h 63 (11 years ago) by gilbertke: updated read_sdf type_mmx and first pass at using best practices
angles.h 63 (11 years ago) by gilbertke: updated read_sdf type_mmx and first pass at using best practices
asnsym.h 63 (11 years ago) by gilbertke: updated read_sdf type_mmx and first pass at using best practices
vibrate.h 63 (11 years ago) by gilbertke: updated read_sdf type_mmx and first pass at using best practices
attached.h 63 (11 years ago) by gilbertke: updated read_sdf type_mmx and first pass at using best practices
datastat.c 97 (11 years ago) by gilbertke: cleanup and removal of amber and opls
mark.c 97 (11 years ago) by gilbertke: cleanup and removal of amber and opls
draw.h 97 (11 years ago) by gilbertke: cleanup and removal of amber and opls
read_pcm.c 97 (11 years ago) by gilbertke: cleanup and removal of amber and opls
energies.h 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
dipmom.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
dipmom.h 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
ehal.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
ebufchrg.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
minimize.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
kvdw.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
tncg.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
pcmwin1.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
pcwin.h 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
estrbnd.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
egeom.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
xlogp.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
Makefile 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
etorsion.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
read_sdf.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
torsions.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
eobpw.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
attach.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
initiali.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
pcmod.h 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
rings.h 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
ktorsion.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
mengine.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
pot.h 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
eangle.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
ebond.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
gmmx_run.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
kcharge.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
pcmsiz.h 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
readprm.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
nonbond.h 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
search.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
angles.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
field.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
kbond.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
kstrbnd.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
field.h 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
kangle.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
draw.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
solve.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
vibrate.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
rings.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
asnsym.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
ksolv.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
esolv.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
kopend.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
read.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
pcmwin2.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
utility.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
pcm7.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
active.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
type_mmx.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
get_mem.c 103 (10 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
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