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root/freemol/trunk/src/mengine/src
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energies.h 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
dipmom.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
pimatx.h 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
fnd_ring.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
ehal.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
substr.h 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
pme.h 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
readz.c 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
kbond.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
minimize.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
derivs.h 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
column.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
tncg.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
pcmwin1.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
datastat.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
mmxconst.h 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
pcwin.h 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
estrbnd.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
sring.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
epimer.c 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
query.h 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
xlogp.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
etorsion.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
fix.h 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
eangle.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
kdipole.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
torsions.c 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
eobpw.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
cutoffs.h 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
hessian.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
kcoord.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
attach.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
initiali.c 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
pcmod.h 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
rings.h 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
rotbond.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
ktorsion.c 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
rings.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
diagc.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
eopbend.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
kvdw.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
hess.h 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
matrix.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
ebond.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
kcharge.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
pcmsiz.h 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
readprm.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
split.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
nonbond.h 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
gmmx.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
draw.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
mark.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
search.c 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
angles.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
field.c 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
kstrbnd.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
field.h 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
angles.h 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
kangle.c 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
solve.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
vibrate.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
mmff94.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
asnsym.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
fnd_bond.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
pot.h 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
kopend.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
read.c 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
pcmwin2.c 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
utility.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
ebufchrg.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
attached.h 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
pcm7.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
read_pcm.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
active.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
type_mmx.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
get_mem.c 27 (11 years ago) by tjod: move mengine src to reflect new freemol directory structure
Makefile 29 (11 years ago) by tjod: add files for configure and make
read_sdf.c 31 (11 years ago) by tjod: When aromatic bonds are encountered generate error on stderr and do not output sdf file.
mengine.py 32 (11 years ago) by tjod: correct python script to use mengine.exe
gmmx_run.c 33 (11 years ago) by tjod: Don't write_sdf when missing parameters or other errors
mengine.c 34 (11 years ago) by tjod: remove include malloc.h for osx compatibility
LICENSE.txt 43 (11 years ago) by wdelano: add mengine license file
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