source: @ 0f06b4a

Name Size Rev Age Author Last Change
doc e40e335   16 years baerbaer Initial import to BerliOS corresponding to 3.0.4 git-svn-id: …
EXAMPLES 4e219a3   16 years baerbaer Update Lund init and BG/P compatibility. * Moved call of init_lundff …
SMMP ba939c7   16 years sandipan Fixing omega when structure is read from a PDB file For Lund force …
.gitignore 128 bytes 2ebb8b6   16 years baerbaer Added .gitignore to repository. git-svn-id: …
addend.f 21.3 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
algorithms.py 3.3 KB e40e335   16 years baerbaer Initial import to BerliOS corresponding to 3.0.4 git-svn-id: …
anneal.f 4.1 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
bgs.f 11.6 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
bldmol.f 8.9 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
callbacktest.f 206 bytes bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
canon.f 3.5 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
ChangeLog 1.5 KB e40e335   16 years baerbaer Initial import to BerliOS corresponding to 3.0.4 git-svn-id: …
cnteny.f 4.6 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
contacts.f 4.7 KB 4e219a3   16 years baerbaer Update Lund init and BG/P compatibility. * Moved call of init_lundff …
difang.f 1.5 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
dihedr.f 2.9 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
energy.f 4.4 KB fafe4d6   16 years baerbaer Call enyflx() in energy() if ientyp is 1. The function energy() …
eninteract.f 2.7 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
enyflx.f 5.7 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
enylun.f 30.5 KB 4fd4338   16 years sandipan Array index overrun in if statements with "and" and "or" operators …
enyreg.f 878 bytes bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
enyshe.f 6.2 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
enyshe_p.f 8.0 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
enysol.f 9.3 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
enysol_p.f 10.3 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
esolan.f 34.7 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
eyabgn.f 5.8 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
getmol.f 12.8 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
gradient.f 1.3 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
hbond.f 9.8 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
helix.f 1.9 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
INCL.H 17.2 KB 0f06b4a   14 years baerbaer Declared some more variable in INCL.H. git-svn-id: …
incl_lund.h 1.5 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
INCP.H 1.5 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
init_energy.f 23.0 KB c076b43   16 years sandipan Updated version of Lund force field functions The Lund force field …
init_molecule.f 6.6 KB ba939c7   16 years sandipan Fixing omega when structure is read from a PDB file For Lund force …
main.f 3.8 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
main.py 4.7 KB e40e335   16 years baerbaer Initial import to BerliOS corresponding to 3.0.4 git-svn-id: …
main_bgl_p.f 10.6 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
main_p.f 8.2 KB 4e219a3   16 years baerbaer Update Lund init and BG/P compatibility. * Moved call of init_lundff …
Makefile 5.5 KB a52fb83   16 years baerbaer Removed extraneous FLAGS from ifort options. git-svn-id: …
metropolis.f 6.1 KB 229cc35   16 years baerbaer Removed unnecessary call to energy in metropolis. git-svn-id: …
mincjg.f 6.2 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
minim.f 7.3 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
minqsn.f 10.3 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
mklist.f 11.5 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
mulcan_par.f 5.2 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
mulcan_par_mod.f90 11.4 KB e40e335   16 years baerbaer Initial import to BerliOS corresponding to 3.0.4 git-svn-id: …
mulcan_sim.f 5.3 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
nursvr.f 1.7 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
opeflx.f 12.7 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
opereg.f 9.7 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
opeshe.f 9.2 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
opesol.f 7.3 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
outpdb.f 4.2 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
outvar.f 2.8 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
partem_p.f 22.5 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
partem_s.f 7.4 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
pdbread.f 13.3 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
protein.py 10.6 KB 4e219a3   16 years baerbaer Update Lund init and BG/P compatibility. * Moved call of init_lundff …
pySMMP.doxygen 50.6 KB e40e335   16 years baerbaer Initial import to BerliOS corresponding to 3.0.4 git-svn-id: …
README 25.4 KB e40e335   16 years baerbaer Initial import to BerliOS corresponding to 3.0.4 git-svn-id: …
redseq.f 5.4 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
redstr.f 7.6 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
redvar.f 21.4 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
regul.f 3.2 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
restoreexclpoint.py 124 bytes e40e335   16 years baerbaer Initial import to BerliOS corresponding to 3.0.4 git-svn-id: …
rgyr.f 2.9 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
rmexclpoint.py 557 bytes e40e335   16 years baerbaer Initial import to BerliOS corresponding to 3.0.4 git-svn-id: …
rmsdfun.f 11.0 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
setmvs.f 15.3 KB 4e219a3   16 years baerbaer Update Lund init and BG/P compatibility. * Moved call of init_lundff …
setvar.f 1.7 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
SMMP.kdevelop 5.9 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
SMMP.kdevelop.filelist 1.1 KB 4e219a3   16 years baerbaer Update Lund init and BG/P compatibility. * Moved call of init_lundff …
SMMP.kdevelop.spec 914 bytes e40e335   16 years baerbaer Initial import to BerliOS corresponding to 3.0.4 git-svn-id: …
smmp.pyf 255.0 KB f3074b0   16 years baerbaer * INCL.H: Corrected formatting * INCL.H: zero and one are doubles not …
SMMP.spec 904 bytes e40e335   16 years baerbaer Initial import to BerliOS corresponding to 3.0.4 git-svn-id: …
SMMP.tag 39.8 KB e40e335   16 years baerbaer Initial import to BerliOS corresponding to 3.0.4 git-svn-id: …
twister.f 5.7 KB e40e335   16 years baerbaer Initial import to BerliOS corresponding to 3.0.4 git-svn-id: …
universe.py 3.8 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
utilities.f 5.6 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
zimmer.f 3.4 KB bd2278d   16 years baerbaer Reformatting comments and continuation marks. Fortran 90 and higher …
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