unres.git
2015-10-23 Cezary Czaplewskipreminim in multichain code
2015-10-20 Cezary Czaplewskichanges to avoid problems with MPI_Scatterv in mpich2...
2015-10-20 Cezary CzaplewskiAdasko's changes to ebend
2015-10-08 Cezary Czaplewskienergy_dec works with etors_d
2015-10-06 Cezary Czaplewskiunres src_MD-M from branch Multichain
2015-09-30 Cezary Czaplewskicmake is working for cluster_unres
2015-09-30 Adam LiwoMerge branch 'homology' of mmka.chem.univ.gda.pl:unres...
2015-09-30 Adam LiwoAdded main_clust.F
2015-09-30 Cezary CzaplewskiMerge branch 'homology' of mmka.chem.univ.gda.pl:unres...
2015-09-30 Cezary Czaplewskicutoff for dfa beta formation to speed up calculations
2015-09-15 Adam LiwoAdded newly created cluster exe and makefile
2015-08-11 Adam LiwoMinor change in unres-cluster DIMENSIONS
2015-08-11 Adam LiwoCluster/unres modified to read MD coordinates in CX...
2015-08-01 Adam LiwoMerge branch 'homology' of mmka.chem.univ.gda.pl:unres...
2015-08-01 Cezary Czaplewskiread2sigma - now without this option code works as...
2015-07-31 Adam Liwopulled readrtns
2015-07-31 Cezary Czaplewskirestoring read2sigma code after wrong merge
2015-07-31 Cezary CzaplewskiMerge branch 'homology' of mmka.chem.univ.gda.pl:unres...
2015-07-31 Cezary Czaplewskinew format of read2sigma *sco files (res number in...
2015-07-31 Adam LiwoMerge branch 'homology' of mmka.chem.univ.gda.pl:unres...
2015-07-31 Adam LiwoBy AL: fixed FGPROCS>1 problem in HMREMD; iset passed...
2015-07-28 Cezary Czaplewskibugfix for read2sigma with different domain definition...
2015-07-21 Cezary CzaplewskiMerge branch 'homology' of mmka.chem.univ.gda.pl:unres...
2015-07-21 Cezary Czaplewski read2sigma supports separate domain definition in...
2015-07-18 Adam LiwoAdded putting secondary-structure information to the...
2015-07-17 Adam LiwoMerge branch 'homology' of mmka.chem.univ.gda.pl:unres...
2015-07-17 Adam LiwoAdded Makefiles
2015-07-17 Cezary Czaplewski the first version of READ2SIGMA - the same domains...
2015-07-09 Adam LiwoFixed the "***" issue in PDB output format by shifting...
2015-06-28 Adam LiwoFixes to compile WHAM and CLUSTER on AIX (nostromo...
2015-06-17 Adam LiwoAdded ifdefs to include/exlucde DFA becuase of the...
2015-06-12 Adam LiwoFixed the homology gradient in finegrain mode
2015-06-07 Adam LiwoAdded an option to compile unres, wham, and cluster...
2015-06-07 Adam LiwoFixes made in connection to Hamiltonian replica exchang...
2015-05-28 Adam LiwoFixed main module of WHAM
2015-05-14 Adam LiwoFixed the following components:
2015-05-13 Adam LiwoFixed a MAJOR error in WHAM; energies were computed...
2015-05-07 Cezary Czaplewskicmake compilation for cluster and wham repaired
2015-05-06 Cezary Czaplewskiminimization in int works with FGPROCS>1
2015-04-16 Felipe PinedaMerge branch 'homology' of mmka.chem.univ.gda.pl:unres...
2015-04-16 Felipe PinedaWHAM and CLUSTER with HM restraints by AL and FP
2015-03-17 Cezary Czaplewskiremd with homol_nset>1 working with FG parallelization
2015-03-13 Cezary Czaplewskichanges to avoid PMPI_Scatterv: Invalid buffer pointer...
2015-03-06 Felipe PinedaLorentzian-type distance restraint energy implemented
2015-03-04 Felipe Pinedacommon.control cleaning
2015-03-04 Felipe PinedaMerge branch 'homology' of mmka.chem.univ.gda.pl:unres...
2015-03-04 Felipe PinedaAfter final fix by AL
2015-03-03 Cezary CzaplewskiREMD with HOMOL_NSET>1 and single weight for all homolo...
2015-02-25 Felipe PinedaMerge branch 'homology' of mmka.chem.univ.gda.pl:unres...
2015-02-25 Felipe PinedaMerge branch 'master' of mmka.chem.univ.gda.pl:unres...
2015-02-25 Cezary Czaplewskirespa now working without dfa weights
2015-02-20 Felipe PinedaMerge branch 'homology' of mmka.chem.univ.gda.pl:unres...
2015-02-20 Cezary CzaplewskiMerge branch 'prerelease-3.2.1'
2015-02-19 Adam SieradzanEBE change in prerealese-3.2.1 make dummy atom idependent
2015-02-16 Adam Sieradzanpoprawka w src_MD
2015-02-16 Adam SieradzanPoprawiony src_MD-M gradient
2015-02-12 Felipe Pineda1st running version of UNRES HM by FP and AL
2015-02-11 Adam SieradzanMerge branch 'prerelease-3.2.1' of mmka:unres into...
2015-02-11 Adam Sieradzanrozgrzebana minimalizacja
2015-02-11 Adam Sieradzanintro of SCCOR into src_MIN
2015-01-24 Adam LiwoCorrected refsys.f in src_MD-M
2015-01-24 Dawid Jagiełaremoved maxlik paths from cmake sources
2015-01-23 Adam Liworefsys
2015-01-23 Adam LiwoMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
2015-01-23 Adam LiwoCorrected refsys.f in src_MD-M
2015-01-22 Adam SieradzanMerge branch 'prerelease-3.2.1' of mmka:unres into...
2015-01-19 Adam Sieradzandzialajacy wham+poprawka w funckji energi+ poprawka...
2015-01-08 Cezary Czaplewskidfa.F was missing form cmake configurations files
2015-01-08 Cezary CzaplewskiMakefiles for mpich2 and some corrections to Makefiles
2015-01-05 Adam LiwoMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
2015-01-05 Adam LiwoAdded cinfo
2015-01-05 Adam LiwoMREMD corrected; Langevin mode (bcast instead of scatte...
2015-01-04 Adam Sieradzanpoprawka gradientu w CSA
2015-01-04 Adam SieradzanNaprawienie wham'a oraz wprowadzenie SCcorr do CSA
2014-12-30 Adam Sieradzanwprowadzenie do multichaina SCcorr
2014-12-19 Adam Sieradzandebug w poszukiwaniu bledu w ostatniej reszcie
2014-12-18 Adam Kazimierz... dodanie czytania wagi wsccor do clustrowania-M
2014-12-18 Adam Kazimierz... Wstawnieni SCCOR dla clustrowania. Nie wiadomo czy...
2014-12-18 Adam Kazimierz... Wprowadzenie SCCOR dla wham-M
2014-12-18 Adam Kazimierz... Rozgrzebany SCCOR dla wham-M
2014-12-17 Adam Kazimierz... Poprawiony SCR_MD-M i dzialajacy
2014-12-17 Adam Kazimierz... Wprowadznie potencjalow SC-COR do multichain oraz ich...
2014-12-17 Adam SieradzanMerge branch 'prerelease-3.2.1' of mmka:unres into...
2014-12-12 Dawid Jagielaremoved source/maxlik/src_CSA dir from CMake
2014-12-12 Adam LiwoAgain, documentation updated
2014-12-12 Adam LiwoDocumentation updated
2014-12-11 Adam LiwoMinor change in documentation (installman)
2014-12-11 Adam LiwoUpdated changelog, added minimization-only version...
2014-12-11 Adam LiwoCreated binaries and fixed bugs when compiling single...
2014-12-07 Dawid Jagiełaremoved CSA_DiL sources from CMake
2014-12-05 Cezary Czaplewskicorrection to 4P energy and csa examples
2014-12-05 Cezary Czaplewskicorrected example CSA run with 4P
2014-12-05 Cezary Czaplewskinew options for mpich2 with gfortran Makefile
2014-12-05 Cezary Czaplewskisrc_CSA_DiL removed from prerelease, current version...
2014-12-04 Adam LiwoAdded the change docs by Adam
2014-12-04 Adam LiwoMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
2014-12-04 Adam LiwoYet more changes in the documentation ( by Adam)
2014-12-04 Adam LiwoRevised documentation by Adam
2014-11-28 Cezary Czaplewskitesting 2D replica exchange with FPROCS>1
2014-11-28 Dawid Jagielachanged FF preprocesor flags in src_CSA_DiL/CMakeLists.txt
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