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root/freemol/trunk/src/mengine/src
r61
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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
minimize.c 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
kvdw.c 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
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
attach.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
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
SConstruct 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
pcmsiz.h 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
mark.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
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
pdb.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
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
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
attached.h 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
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
energies.h 58 (10 years ago) by wdelano: code merge 20081130
dipmom.c 58 (10 years ago) by wdelano: code merge 20081130
ebufchrg.c 58 (10 years ago) by wdelano: code merge 20081130
ehal.c 58 (10 years ago) by wdelano: code merge 20081130
draw.c 58 (10 years ago) by wdelano: code merge 20081130
derivs.h 58 (10 years ago) by wdelano: code merge 20081130
tncg.c 58 (10 years ago) by wdelano: code merge 20081130
pcmwin1.c 58 (10 years ago) by wdelano: code merge 20081130
datastat.c 58 (10 years ago) by wdelano: code merge 20081130
mmxconst.h 58 (10 years ago) by wdelano: code merge 20081130
pcwin.h 58 (10 years ago) by wdelano: code merge 20081130
estrbnd.c 58 (10 years ago) by wdelano: code merge 20081130
egeom.c 58 (10 years ago) by wdelano: code merge 20081130
Makefile 58 (10 years ago) by wdelano: code merge 20081130
etorsion.c 58 (10 years ago) by wdelano: code merge 20081130
fix.h 58 (10 years ago) by wdelano: code merge 20081130
read_sdf.c 58 (10 years ago) by wdelano: code merge 20081130
torsions.c 58 (10 years ago) by wdelano: code merge 20081130
eobpw.c 58 (10 years ago) by wdelano: code merge 20081130
hessian.c 58 (10 years ago) by wdelano: code merge 20081130
initiali.c 58 (10 years ago) by wdelano: code merge 20081130
pcmod.h 58 (10 years ago) by wdelano: code merge 20081130
ktorsion.c 58 (10 years ago) by wdelano: code merge 20081130
rings.c 58 (10 years ago) by wdelano: code merge 20081130
diagc.c 58 (10 years ago) by wdelano: code merge 20081130
eopbend.c 58 (10 years ago) by wdelano: code merge 20081130
eangle.c 58 (10 years ago) by wdelano: code merge 20081130
ebond.c 58 (10 years ago) by wdelano: code merge 20081130
gmmx_run.c 58 (10 years ago) by wdelano: code merge 20081130
kcharge.c 58 (10 years ago) by wdelano: code merge 20081130
readprm.c 58 (10 years ago) by wdelano: code merge 20081130
sring.c 58 (10 years ago) by wdelano: code merge 20081130
search.c 58 (10 years ago) by wdelano: code merge 20081130
angles.c 58 (10 years ago) by wdelano: code merge 20081130
field.c 58 (10 years ago) by wdelano: code merge 20081130
kbond.c 58 (10 years ago) by wdelano: code merge 20081130
tabulator.h 58 (10 years ago) by wdelano: code merge 20081130
kangle.c 58 (10 years ago) by wdelano: code merge 20081130
solve.c 58 (10 years ago) by wdelano: code merge 20081130
vibrate.c 58 (10 years ago) by wdelano: code merge 20081130
mmff94.h 58 (10 years ago) by wdelano: code merge 20081130
ksolv.c 58 (10 years ago) by wdelano: code merge 20081130
esolv.c 58 (10 years ago) by wdelano: code merge 20081130
read.c 58 (10 years ago) by wdelano: code merge 20081130
pcmwin2.c 58 (10 years ago) by wdelano: code merge 20081130
utility.c 58 (10 years ago) by wdelano: code merge 20081130
pcm7.c 58 (10 years ago) by wdelano: code merge 20081130
read_pcm.c 58 (10 years ago) by wdelano: code merge 20081130
active.c 58 (10 years ago) by wdelano: code merge 20081130
get_mem.c 58 (10 years ago) by wdelano: code merge 20081130
mengine.c 61 (10 years ago) by wdelano: minor
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