source:
| Name | Size | Rev | Age | Author | Last Change |
|---|---|---|---|---|---|
| pysmmp | 225475c | 14 years | Move pysmmp in its own subdirectory. | ||
| EXAMPLES | 3fbbfbb | 14 years | Move to doxygen comments and smmp_p. Doxygen comments in Fortran are … | ||
| doc | 6650a56 | 14 years | Explicitly declare variables. git-svn-id: … | ||
| SMMP | ba939c7 | 16 years | Fixing omega when structure is read from a PDB file For Lund force … | ||
| INCL.H | 19.4 KB | 87ddcf7 | 13 years | Rename common block log to logging. | |
| Makefile | 7.3 KB | 5fef0d7 | 14 years | Changed module name from smmp to smmp_p. Fixed conversion to residue … | |
| enysol_p.f | 11.0 KB | 5fef0d7 | 14 years | Changed module name from smmp to smmp_p. Fixed conversion to residue … | |
| utilities.f | 6.4 KB | 3fbbfbb | 14 years | Move to doxygen comments and smmp_p. Doxygen comments in Fortran are … | |
| timer.F90 | 4.7 KB | 3fbbfbb | 14 years | Move to doxygen comments and smmp_p. Doxygen comments in Fortran are … | |
| rgyr.f | 3.1 KB | 3fbbfbb | 14 years | Move to doxygen comments and smmp_p. Doxygen comments in Fortran are … | |
| partem_p.f | 22.7 KB | 3fbbfbb | 14 years | Move to doxygen comments and smmp_p. Doxygen comments in Fortran are … | |
| main.f | 4.6 KB | 3fbbfbb | 14 years | Move to doxygen comments and smmp_p. Doxygen comments in Fortran are … | |
| enyshe_p.f | 8.2 KB | 3fbbfbb | 14 years | Move to doxygen comments and smmp_p. Doxygen comments in Fortran are … | |
| enyshe.f | 6.2 KB | 3fbbfbb | 14 years | Move to doxygen comments and smmp_p. Doxygen comments in Fortran are … | |
| init_molecule.f | 6.0 KB | 5272e0d | 14 years | Added ppybind target to Makefile Added a new target for creating … | |
| enyshe_simple.f90 | 2.8 KB | 7137e5d | 14 years | Added timer and enyshe using double loop. | |
| setmvs.f | 16.0 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| rmsdfun.f | 11.5 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| regul.f | 3.4 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| redvar.f | 22.2 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| redstr.f | 8.0 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| redseq.f | 5.7 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| pdbread.f | 13.8 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| partem_s.f | 7.5 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| outvar.f | 2.9 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| outpdb.f | 4.3 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| opesol.f | 7.8 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| opeshe.f | 9.9 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| opereg.f | 10.3 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| opeflx.f | 13.7 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| nursvr.f | 1.8 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| mulcan_sim.f | 5.4 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| mulcan_par_mod.f90 | 11.7 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| mulcan_par.f | 5.3 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| mklist.f | 12.1 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| minqsn.f | 10.8 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| minim.f | 8.0 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| mincjg.f | 6.6 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| metropolis.f | 6.4 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| main_p.f | 8.3 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| main_bgl_p.f | 10.7 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| init_energy.f | 23.2 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| INCP.H | 1.7 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| hbond.f | 10.7 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| gradient.f | 1.4 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| getmol.f | 13.5 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| esolan.f | 35.6 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| enysol.f | 9.9 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| enyflx.f | 6.0 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| dihedr.f | 3.3 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| contacts.f | 5.0 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| cnteny.f | 4.9 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| canon.f | 4.0 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| bldmol.f | 9.7 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| bgs.f | 10.3 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| anneal.f | 4.4 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| addend.f | 22.4 KB | 38d77eb | 14 years | Redirected standard out to logString. SMMP produced a lot of log … | |
| zimmer.f | 3.4 KB | 32289cd | 14 years | Explicitly declare variables. git-svn-id: … | |
| twister.f | 6.0 KB | 32289cd | 14 years | Explicitly declare variables. git-svn-id: … | |
| eyabgn.f | 6.1 KB | 32289cd | 14 years | Explicitly declare variables. git-svn-id: … | |
| enyreg.f | 931 bytes | 32289cd | 14 years | Explicitly declare variables. git-svn-id: … | |
| enylun.f | 31.5 KB | 32289cd | 14 years | Explicitly declare variables. git-svn-id: … | |
| eninteract.f | 2.8 KB | 32289cd | 14 years | Explicitly declare variables. git-svn-id: … | |
| energy.f | 4.6 KB | 32289cd | 14 years | Explicitly declare variables. git-svn-id: … | |
| difang.f | 1.5 KB | 32289cd | 14 years | Explicitly declare variables. git-svn-id: … | |
| init_lund.f90 | 1.7 KB | 6650a56 | 14 years | Explicitly declare variables. git-svn-id: … | |
| incl_lund.h | 2.1 KB | 6650a56 | 14 years | Explicitly declare variables. git-svn-id: … | |
| helix.f | 2.1 KB | 6650a56 | 14 years | Explicitly declare variables. git-svn-id: … | |
| setvar.f | 1.9 KB | cb47b9c | 14 years | Explicitly declare variables. All variables should be declared so … | |
| smmp.pyf | 296.5 KB | ffd2d46 | 14 years | Added bindings to setvar and enysol. For the trajectory analysis, I … | |
| SMMP.kdevelop.filelist | 1.1 KB | 4e219a3 | 16 years | Update Lund init and BG/P compatibility. * Moved call of init_lundff … | |
| SMMP.kdevelop | 5.9 KB | bd2278d | 16 years | Reformatting comments and continuation marks. Fortran 90 and higher … | |
| callbacktest.f | 206 bytes | bd2278d | 16 years | Reformatting comments and continuation marks. Fortran 90 and higher … | |
| .gitignore | 128 bytes | 2ebb8b6 | 16 years | Added .gitignore to repository. git-svn-id: … | |
| SMMP.tag | 39.8 KB | e40e335 | 16 years | Initial import to BerliOS corresponding to 3.0.4 git-svn-id: … | |
| SMMP.spec | 904 bytes | e40e335 | 16 years | Initial import to BerliOS corresponding to 3.0.4 git-svn-id: … | |
| SMMP.kdevelop.spec | 914 bytes | e40e335 | 16 years | Initial import to BerliOS corresponding to 3.0.4 git-svn-id: … | |
| rmexclpoint.py | 557 bytes | e40e335 | 16 years | Initial import to BerliOS corresponding to 3.0.4 git-svn-id: … | |
| restoreexclpoint.py | 124 bytes | e40e335 | 16 years | Initial import to BerliOS corresponding to 3.0.4 git-svn-id: … | |
| README | 25.4 KB | e40e335 | 16 years | Initial import to BerliOS corresponding to 3.0.4 git-svn-id: … | |
| pySMMP.doxygen | 50.6 KB | e40e335 | 16 years | Initial import to BerliOS corresponding to 3.0.4 git-svn-id: … | |
| ChangeLog | 1.5 KB | e40e335 | 16 years | Initial import to BerliOS corresponding to 3.0.4 git-svn-id: … |
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