mmka.chem.univ.gda.pl Git - unres4.git/history

[unres4.git] / source / unres / energy.F90

2020-11-05	Adam Sieradzan	correction in new ions and clusterfix	blob \| commitdiff
2020-10-09	Adam Sieradzan	corrections in shift	blob \| commitdiff \| diff to current
2020-09-30	Anna Antoniak	Implementation of ions into NARES	blob \| commitdiff \| diff to current
2020-09-28	Adam Sieradzan	changes in cation parameter	blob \| commitdiff \| diff to current
2020-09-28	Anna Antoniak	added lipid and to_box subroutine to other energies	blob \| commitdiff \| diff to current
2020-09-20	Anna Antoniak	Merge branch 'UCGM' of mmka.chem.univ.gda.pl:unres4...	blob \| commitdiff \| diff to current
2020-09-20	Anna Antoniak	corrections in box	blob \| commitdiff \| diff to current
2020-09-19	Adam Sieradzan	emomo correction	blob \| commitdiff \| diff to current
2020-09-17	Adam Sieradzan	small changes in cation cation interactions and wham...	blob \| commitdiff \| diff to current
2020-05-19	Adam Sieradzan	Lipids for NEWCORR good gradient	blob \| commitdiff \| diff to current
2020-05-07	Adam Sieradzan	changes in ions	blob \| commitdiff \| diff to current
2020-03-18	Adam Sieradzan	working cutoff	blob \| commitdiff \| diff to current
2020-03-11	Adam Sieradzan	changes in wham debug on	blob \| commitdiff \| diff to current
2020-03-03	Adam Sieradzan	adding contact map	blob \| commitdiff \| diff to current
2020-01-03	Adam Sieradzan	Merge branch 'UCGM' of mmka.chem.univ.gda.pl:unres4...	blob \| commitdiff \| diff to current
2020-01-03	Adam Sieradzan	debug on for ions	blob \| commitdiff \| diff to current
2020-01-03	Agnieszka Lipska	metal ions and protein interaction parameters - correct...	blob \| commitdiff \| diff to current
2019-12-21	Adam Sieradzan	ion grad ok, debug on, parameter are wrong for ions	blob \| commitdiff \| diff to current
2019-11-25	Adam Sieradzan	working gradient for cations	blob \| commitdiff \| diff to current
2019-11-22	Adam Sieradzan	new ecat_prot energy is computed	blob \| commitdiff \| diff to current
2019-11-13	Agnieszka Lipska	New ions represetation	blob \| commitdiff \| diff to current
2019-11-12	Agnieszka Lipska	Merge branch 'UCGM' of mmka.chem.univ.gda.pl:unres4...	blob \| commitdiff \| diff to current
2019-11-12	Agnieszka Lipska	changes for new ion parametrization	blob \| commitdiff \| diff to current
2019-09-30	Adam Sieradzan	bug fix for nares	blob \| commitdiff \| diff to current
2019-09-16	Adam Sieradzan	critical bugfix for nucleic sequence reading	blob \| commitdiff \| diff to current
2019-06-07	Adam Sieradzan	critical bugfix NARES_UNRES interface	blob \| commitdiff \| diff to current
2019-06-06	Adam Sieradzan	wham debug on for NARES	blob \| commitdiff \| diff to current
2019-01-30	Adam Sieradzan	changes in wham and cluser + cutoff corr	blob \| commitdiff \| diff to current
2018-11-21	Adam Sieradzan	adding Debey screening and old torsion parm	blob \| commitdiff \| diff to current
2018-11-08	Adam Sieradzan	debug off	blob \| commitdiff \| diff to current
2018-11-06	Adam Sieradzan	bug fix in corr4	blob \| commitdiff \| diff to current
2018-11-05	Adam Sieradzan	criticall bug fix in energy	blob \| commitdiff \| diff to current
2018-10-09	Adam Sieradzan	NEW CORR added to UNRES4	blob \| commitdiff \| diff to current
2018-10-03	Adam Sieradzan	-2 charge for phosphorylatated	blob \| commitdiff \| diff to current
2018-09-27	Adam Sieradzan	introduction of PBC to prot_cat	blob \| commitdiff \| diff to current
2018-09-19	Adam Sieradzan	changes in lip parm and energy	blob \| commitdiff \| diff to current
2018-05-07	Adam Sieradzan	renamining + shielding parallel	blob \| commitdiff \| diff to current

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