mmka.chem.univ.gda.pl Git - unres.git/history - source/unres/src_MD/energy_p_new

[unres.git] / source / unres / src_MD / energy_p_new_barrier.F

2018-05-07	Cezary Czaplewski	HOMOL klapaucjusz correction	blob \| commitdiff
2018-04-24	Cezary Czaplewski	HOMOL new dihed constrain cos function	blob \| commitdiff \| diff to current
2018-04-20	Cezary Czaplewski	new HOMOL energy	blob \| commitdiff \| diff to current
2017-09-26	Cezary Czaplewski	imax0 not in gfortran	blob \| commitdiff \| diff to current
2017-03-21	Cezary Czaplewski	compiler directive UNROLL(0) in eturn3	blob \| commitdiff \| diff to current
2017-02-23	Cezary Czaplewski	homology dihederal i-3 gradient correction src_MD	blob \| commitdiff \| diff to current
2016-08-23	Cezary Czaplewski	Lorenz restraints on distances	blob \| commitdiff \| diff to current
2016-06-08	Cezary Czaplewski	single chain correction of dihedral homology restraints...	blob \| commitdiff \| diff to current
2016-04-29	Cezary Czaplewski	DIST2_CUT correction	blob \| commitdiff \| diff to current
2016-03-04	Cezary Czaplewski	Adam's changes to avoid wrong XG.. or ..GX sequence...	blob \| commitdiff \| diff to current
2016-03-03	Cezary Czaplewski	corrections to changes form nostromo	blob \| commitdiff \| diff to current
2016-02-17	Cezary Czaplewski	correction for homol_nset>1 and waga_homology(iset...	blob \| commitdiff \| diff to current
2015-10-27	Cezary Czaplewski	ENERGY_DEC printout works for ESTR	blob \| commitdiff \| diff to current
2015-10-26	Cezary Czaplewski	ENERGY_DEC printout works for ebend in E0LL2Y forcefield	blob \| commitdiff \| diff to current
2015-10-08	Cezary Czaplewski	energy_dec works with etors_d	blob \| commitdiff \| diff to current
2015-07-28	Cezary Czaplewski	bugfix for read2sigma with different domain definition...	blob \| commitdiff \| diff to current
2015-07-21	Cezary Czaplewski	read2sigma supports separate domain definition in...	blob \| commitdiff \| diff to current
2015-06-28	Adam Liwo	Fixes to compile WHAM and CLUSTER on AIX (nostromo...	blob \| commitdiff \| diff to current
2015-06-17	Adam Liwo	Added ifdefs to include/exlucde DFA becuase of the...	blob \| commitdiff \| diff to current
2015-06-12	Adam Liwo	Fixed the homology gradient in finegrain mode	blob \| commitdiff \| diff to current
2015-05-14	Adam Liwo	Fixed the following components:	blob \| commitdiff \| diff to current
2015-05-06	Cezary Czaplewski	minimization in int works with FGPROCS>1	blob \| commitdiff \| diff to current
2015-04-16	Felipe Pineda	WHAM and CLUSTER with HM restraints by AL and FP	blob \| commitdiff \| diff to current
2015-03-06	Felipe Pineda	Lorentzian-type distance restraint energy implemented	blob \| commitdiff \| diff to current
2015-03-03	Cezary Czaplewski	REMD with HOMOL_NSET>1 and single weight for all homolo...	blob \| commitdiff \| diff to current
2015-02-25	Felipe Pineda	Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...	blob \| commitdiff \| diff to current
2015-02-25	Felipe Pineda	Merge branch 'master' of mmka.chem.univ.gda.pl:unres...	blob \| commitdiff \| diff to current
2015-02-20	Felipe Pineda	Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...	blob \| commitdiff \| diff to current
2015-02-19	Adam Sieradzan	EBE change in prerealese-3.2.1 make dummy atom idependent	blob \| commitdiff \| diff to current
2015-02-12	Felipe Pineda	1st running version of UNRES HM by FP and AL	blob \| commitdiff \| diff to current
2014-12-30	Adam Sieradzan	wprowadzenie do multichaina SCcorr	blob \| commitdiff \| diff to current
2014-12-18	Adam Kazimierz Sie...	Wprowadzenie SCCOR dla wham-M	blob \| commitdiff \| diff to current
2014-11-28	Cezary Czaplewski	testing 2D replica exchange with FPROCS>1	blob \| commitdiff \| diff to current
2014-11-07	Cezary Czaplewski	2D replica exchange with homology constraints	blob \| commitdiff \| diff to current
2014-10-17	Felipe Pineda	Adam's homology version of unres with new readpdb.F...	blob \| commitdiff \| diff to current
2013-08-31	Adam Kazimierz Sie...	wylaczenie diagnostyki	blob \| commitdiff \| diff to current
2013-08-31	Adam Kazimierz Sie...	zmiany w prereleasie drobne	blob \| commitdiff \| diff to current
2013-02-18	Cezary Czaplewski	dynamic dissulfides with finegrain parallelization...	blob \| commitdiff \| diff to current
2013-02-18	Cezary Czaplewski	dynamic dissulfides with finegrain parallelization	blob \| commitdiff \| diff to current
2013-02-18	Adam Liwo	8/11/12 by Adam: fixed disulfide bridge problems	blob \| commitdiff \| diff to current
2013-02-17	Cezary Czaplewski	dyn_ss writing pdb and ihpb cleaning	blob \| commitdiff \| diff to current
2013-02-15	Cezary Czaplewski	dynamic disulfides are working again in md	blob \| commitdiff \| diff to current
2013-02-15	Cezary Czaplewski	dynamic SS from old Maurizio's code	blob \| commitdiff \| diff to current
2012-11-23	Dawid Jagiela	some gfortran warning fixes	blob \| commitdiff \| diff to current
2012-09-20	Adam Liwo	Update	blob \| commitdiff \| diff to current
2012-07-18	Adam Kazimierz Sie...	Revert "Merge branch 'adasko' into devel"	blob \| commitdiff \| diff to current
2012-07-17	Adam Kazimierz Sie...	D i L aminokwasy dzialajace dla src_MD	blob \| commitdiff \| diff to current
2012-07-09	Adam Kazimierz Sie...	D i L aminokwasy tuz przed testami	blob \| commitdiff \| diff to current
2012-07-06	Adam Kazimierz Sie...	zmiana do DiL	blob \| commitdiff \| diff to current
2012-07-05	Adam Kazimierz Sie...	Rozgrzebany DIL	blob \| commitdiff \| diff to current
2012-06-18	Adam Liwo	Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...	blob \| commitdiff \| diff to current
2012-06-18	Adam Kazimierz Sie...	Merge branch 'adasko' into devel	blob \| commitdiff \| diff to current
2012-06-18	Adam Kazimierz Sie...	zmiany po usunieciu diagnostyki...	blob \| commitdiff \| diff to current
2012-06-15	Adam Kazimierz Sie...	dzialajacy grad check....	blob \| commitdiff \| diff to current
2012-06-14	Adam Kazimierz Sie...	Dzialajacy INTERTYP=1 i INTERTYP=2	blob \| commitdiff \| diff to current
2012-06-05	Adam Kazimierz Sie...	UDALO SIE TERAZ DEBUG	blob \| commitdiff \| diff to current
2012-05-29	Adam Kazimierz Sie...	kolejna	blob \| commitdiff \| diff to current
2012-05-29	Adam Kazimierz Sie...	zmienionwe zostaly i zostal chyba tylko int to cart...	blob \| commitdiff \| diff to current
2012-05-29	Adam Kazimierz Sie...	sadas	blob \| commitdiff \| diff to current
2012-05-13	Adam Liwo	5/13/2012 by Adam	blob \| commitdiff \| diff to current
2012-05-13	Adam Liwo	5/13/2012 by Adam	blob \| commitdiff \| diff to current
2012-05-10	Dawid Jagiela	closing asci-art frames in energy_p_new_barrier.F files...	blob \| commitdiff \| diff to current
2012-05-10	Adam Liwo	5/10/2012 by Adam	blob \| commitdiff \| diff to current
2012-04-19	Dawid Jagiela	CMake project files added	blob \| commitdiff \| diff to current
2012-03-28	Cezary Czaplewski	removal of CSA from MD version of code	blob \| commitdiff \| diff to current
2012-02-25	Dawid Jagieła	added source code v.3.0	blob \| commitdiff \| diff to current

UNRESPACK 3.x

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