2015-11-27 |
Adam Liwo | fixed readrtns as per Adasko's changes in the FM branch... |
tree | commitdiff |
2015-11-26 |
Adam Liwo | Fixed eello5, eello6, eturn6, and shortrange RESPA |
tree | commitdiff |
2015-10-21 |
Adam Sieradzan | corrections in wham and clust |
tree | commitdiff |
2015-10-12 |
Adam Sieradzan | debug off |
tree | commitdiff |
2015-09-29 |
Adam Sieradzan | Merge branch 'lipid' into AFM |
tree | commitdiff |
2015-09-29 |
Adam Sieradzan | ESSENTIAL CHANGE - BUG FIX in ENERGY to have old Correl... |
tree | commitdiff |
2015-09-29 |
Adam Sieradzan | wham in lipid still diff |
tree | commitdiff |
2015-09-23 |
Adam Sieradzan | bug fix in extconf |
tree | commitdiff |
2015-09-22 |
Adam Sieradzan | working shielding |
tree | commitdiff |
2015-09-09 |
Adam Sieradzan | changes in parameter file and debug off |
tree | commitdiff |
2015-09-09 |
Adam Sieradzan | new lipid potentials |
tree | commitdiff |
2015-09-08 |
Adam Sieradzan | Shielding part 2 |
tree | commitdiff |
2015-09-01 |
Adam Sieradzan | introduction of shielding effect (volume of overlap) |
tree | commitdiff |
2015-08-06 |
Adam Sieradzan | Merge branch 'devel' into AFM |
tree | commitdiff |
2015-08-06 |
Adam Sieradzan | first changes for shielding |
tree | commitdiff |
2015-08-06 |
Adam Sieradzan | Merge branch 'AFM' into multichain |
tree | commitdiff |
2015-08-06 |
Adam Sieradzan | intoduction of constant velocity for spring |
tree | commitdiff |
2015-08-03 |
Adam Sieradzan | 1) debug of Lorentzian like constrains in cluster 2... |
tree | commitdiff |
2015-08-02 |
Adam Sieradzan | first introduction of valence constrains - not working yet |
tree | commitdiff |
2015-07-31 |
Adam Sieradzan | introduction of different ftors for each site |
tree | commitdiff |
2015-07-31 |
Adam Sieradzan | First trial to introduce steered MD non successful |
tree | commitdiff |
2015-07-28 |
Adam Sieradzan | Intoduction Lorentizan like restrains to cluster |
tree | commitdiff |
2015-07-21 |
Adam Sieradzan | WHAM for Lorentzian like constrains fixed - DEBUG OFF |
tree | commitdiff |
2015-07-17 |
Adam Sieradzan | first attempt to indroduce AFM velocity |
tree | commitdiff |
2015-07-06 |
Adam Sieradzan | Merge branch 'multichain' of mmka:unres into multichain |
tree | commitdiff |
2015-07-06 |
Adam Sieradzan | intoduction of quartic restrains in multichain, bugfix... |
tree | commitdiff |
2015-07-03 |
Adam Sieradzan | WeFold Lorentzian like potentials introduction |
tree | commitdiff |
2015-06-30 |
rojas | Change in energy_p_new_barrier.F, in eelec, aorund... |
tree | commitdiff |
2015-06-26 |
Adam Sieradzan | Changes suggested by Ana |
tree | commitdiff |
2015-06-25 |
Adam Sieradzan | Merge branch 'lipid' into AFM |
tree | commitdiff |
2015-06-25 |
Adam Sieradzan | removal of double returnbox |
tree | commitdiff |
2015-06-25 |
Adam Sieradzan | Merge branch 'multichain' into lipid |
tree | commitdiff |
2015-06-24 |
Dawid Jagiela | removed uninitialized ghalf from equation |
tree | commitdiff |
2015-06-23 |
Adam Sieradzan | small fix in lipids |
tree | commitdiff |
2015-05-26 |
Dawid Jagiela | removed obsolite code in ssMD.F files |
tree | commitdiff |
2015-05-25 |
Adam Sieradzan | TRISS debug |
tree | commitdiff |
2015-05-25 |
Adam Sieradzan | Warnig Debug ON |
tree | commitdiff |
2015-05-24 |
Adam Sieradzan | Corrected WHAM and UNRES reading in SS dyn... |
tree | commitdiff |
2015-05-22 |
Pawel Krupa | Merge branch 'devel' of mmka.chem.univ.gda.pl:unres... |
tree | commitdiff |
2015-05-22 |
Pawel Krupa | Fixed bug in reading trisulfide potentials (atriss... |
tree | commitdiff |
2015-05-06 |
Dawid Jagiela | fixed install binary paths |
tree | commitdiff |
2015-05-06 |
Adam Sieradzan | correction in readpdb (bugfix) |
tree | commitdiff |
2015-04-23 |
Adam Sieradzan | zmiany w geomout dla AFM |
tree | commitdiff |
2015-04-21 |
Pawel Krupa | MPICH2 and energy fixes in WHAM-M and Cluster-M. |
tree | commitdiff |
2015-04-17 |
Adam Sieradzan | poprawka w COMMON.SBRIDE dla triss |
tree | commitdiff |
2015-04-17 |
Adam Sieradzan | Zaimplementowany AFM |
tree | commitdiff |
2015-04-13 |
Adam Sieradzan | poprawka w intcartderiv |
tree | commitdiff |
2015-04-13 |
Adam Sieradzan | Introduction of SS to newcorr and SSS to src_MD-M |
tree | commitdiff |
2015-04-09 |
Adam Sieradzan | poprawka w pametrach |
tree | commitdiff |
2015-03-26 |
Pawel Krupa | MD problems fixed with FGPROC>1 |
tree | commitdiff |
2015-03-25 |
Adam Sieradzan | important change for single processor for multi-chain |
tree | commitdiff |
2015-03-19 |
Adam Sieradzan | chyba dzialajacy lipid |
tree | commitdiff |
2015-03-18 |
Adam Sieradzan | Merge branch 'multichain' into lipid |
tree | commitdiff |
2015-03-18 |
Adam Sieradzan | correction of correlation potentials |
tree | commitdiff |
2015-03-18 |
Adam Sieradzan | poprawki w potencjalach |
tree | commitdiff |
2015-03-16 |
Adam Sieradzan | drobne poprawki |
tree | commitdiff |
2015-03-04 |
Adam Sieradzan | Merge branch 'multichain' of mmka:unres into lipid |
tree | commitdiff |
2015-03-04 |
Adam Sieradzan | correction in multichain |
tree | commitdiff |
2015-03-04 |
Adam Sieradzan | introduce lipid good grad wrong symplex |
tree | commitdiff |
2015-02-24 |
Adam Sieradzan | Merge branch 'master' into multichain |
tree | commitdiff |
2015-02-19 |
Adam Sieradzan | poprawki w ANG w src_MD-M |
tree | commitdiff |
2015-02-10 |
Adam Sieradzan | wprowadzenie lipidow |
tree | commitdiff |
2015-01-29 |
Adam Liwo | Corrected refsys.f in src_MD-M |
tree | commitdiff |
2015-01-29 |
Adam Sieradzan | Introduction of lipid energy transfer |
tree | commitdiff |
2014-12-17 |
Adam Sieradzan | Merge branch 'master' of mmka:unres |
tree | commitdiff |
2014-12-17 |
Adam Sieradzan | Merge branch 'master' of mmka:unres into multichain |
tree | commitdiff |
2014-12-11 |
Adam Liwo | Updated changelog, added minimization-only version... |
tree | commitdiff |
2014-12-11 |
Adam Liwo | Created binaries and fixed bugs when compiling single... |
tree | commitdiff |
2014-12-05 |
Cezary Czaplewski | new options for mpich2 with gfortran Makefile |
tree | commitdiff |
2014-12-05 |
Cezary Czaplewski | src_CSA_DiL removed from prerelease, current version... |
tree | commitdiff |
2014-12-05 |
Cezary Czaplewski | changes from prerelease src_CSA_DiL copied to devel |
tree | commitdiff |
2014-11-28 |
Dawid Jagiela | changed FF preprocesor flags in src_CSA_DiL/CMakeLists.txt |
tree | commitdiff |
2014-11-28 |
Dawid Jagiela | fixed FF preprocesor flags for src_CSA/CMakeLists.txt |
tree | commitdiff |
2014-11-28 |
Dawid Jagiela | changed csa.f to csa.F in src_CSA/CMakeLists.txt sources |
tree | commitdiff |
2014-11-28 |
Adam Liwo | Trying to bring files - continued |
tree | commitdiff |
2014-11-27 |
Adam Liwo | Fixed Makefiles, handle all force fields thru appropria... |
tree | commitdiff |
2014-11-06 |
Dawid Jagiela | fixed src_MD_DFA ala10 ctest |
tree | commitdiff |
2014-11-06 |
Dawid Jagiela | 1) changes for FindMPI macro in source/unres/src_MD_DFA |
tree | commitdiff |
2014-11-05 |
Dawid Jagiela | fixed marge problem |
tree | commitdiff |
2014-11-05 |
Dawid Jagiela | Merge branch 'prerelease-3.2.1' into devel |
tree | commitdiff |
2014-11-05 |
Dawid Jagiela | ctest ala10 binary location fix |
tree | commitdiff |
2014-10-27 |
Dawid Jagiela | 1) binaries are compiled into /bin subdirectory of... |
tree | commitdiff |
2014-10-26 |
Dawid Jagiela | 1) Threading cleanup in src_CSA & src_CSA_DiL |
tree | commitdiff |
2014-10-26 |
Dawid Jagiela | switched to CMake FindMPI module in all source files... |
tree | commitdiff |
2014-10-26 |
Dawid Jagiela | switched to CMake FindMPI module in all source files... |
tree | commitdiff |
2014-10-26 |
Dawid Jagiela | added missing preprocessor flags for prng_32.F |
tree | commitdiff |
2014-10-25 |
Dawid Jagiela | prng.f unification |
tree | commitdiff |
2014-10-23 |
Adam Sieradzan | Merge branch 'multichain' of mmka:unres into multichain |
tree | commitdiff |
2014-10-23 |
Adam Sieradzan | poprawka w stochasticfric |
tree | commitdiff |
2014-10-16 |
Dawid Jagiela | 64-bit fix for unres/CSA and unres/CSA_DiL code |
tree | commitdiff |
2014-10-14 |
Dawid Jagieła | fixed CMake variable typo |
tree | commitdiff |
2014-09-11 |
Adam Kazimierz Sie... | poprawka w triss |
tree | commitdiff |
2014-07-24 |
Adam Kazimierz Sie... | After long DEBUG of energy function |
tree | commitdiff |
2014-07-23 |
Dawid Jagiela | added "make install" support for: unres (MD, MD-M,... |
tree | commitdiff |
2014-07-22 |
Adam Sieradzan | correction in MD returnbox |
tree | commitdiff |
2014-07-04 |
Adam Kazimierz Sie... | BUG FIX for SUMSL minimization |
tree | commitdiff |
2014-06-24 |
Adam Sieradzan | bug fix for langevin dynamics |
tree | commitdiff |
2014-06-24 |
Adam Sieradzan | Merge branch 'devel' of mmka:unres into devel |
tree | commitdiff |
2014-06-24 |
Adam Sieradzan | bug fix for langevin dynamics |
tree | commitdiff |
2014-06-24 |
Cezary Czaplewski | Makefile without debuging |
tree | commitdiff |
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