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changes in cation parameter
[unres4.git]
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source
/
unres
/
energy.F90
2020-09-28
Adam Sieradzan
changes in cation parameter
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2020-09-19
Adam Sieradzan
emomo correction
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2020-09-17
Adam Sieradzan
small changes in cation cation interactions and wham...
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2020-05-19
Adam Sieradzan
Lipids for NEWCORR good gradient
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2020-05-07
Adam Sieradzan
changes in ions
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2020-03-18
Adam Sieradzan
working cutoff
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2020-03-11
Adam Sieradzan
changes in wham debug on
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2020-03-03
Adam Sieradzan
adding contact map
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2020-01-03
Adam Sieradzan
Merge branch 'UCGM' of mmka.chem.univ.gda.pl:unres4...
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2020-01-03
Adam Sieradzan
debug on for ions
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2020-01-03
Agnieszka Lipska
metal ions and protein interaction parameters - correct...
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2019-12-21
Adam Sieradzan
ion grad ok, debug on, parameter are wrong for ions
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2019-11-25
Adam Sieradzan
working gradient for cations
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2019-11-22
Adam Sieradzan
new ecat_prot energy is computed
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2019-11-13
Agnieszka Lipska
New ions represetation
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2019-11-12
Agnieszka Lipska
Merge branch 'UCGM' of mmka.chem.univ.gda.pl:unres4...
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2019-11-12
Agnieszka Lipska
changes for new ion parametrization
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2019-09-30
Adam Sieradzan
bug fix for nares
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2019-09-16
Adam Sieradzan
critical bugfix for nucleic sequence reading
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2019-06-07
Adam Sieradzan
critical bugfix NARES_UNRES interface
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2019-06-06
Adam Sieradzan
wham debug on for NARES
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2019-01-30
Adam Sieradzan
changes in wham and cluser + cutoff corr
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2018-11-21
Adam Sieradzan
adding Debey screening and old torsion parm
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2018-11-08
Adam Sieradzan
debug off
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2018-11-06
Adam Sieradzan
bug fix in corr4
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2018-11-05
Adam Sieradzan
criticall bug fix in energy
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2018-10-09
Adam Sieradzan
NEW CORR added to UNRES4
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2018-10-03
Adam Sieradzan
-2 charge for phosphorylatated
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2018-09-27
Adam Sieradzan
introduction of PBC to prot_cat
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2018-09-19
Adam Sieradzan
changes in lip parm and energy
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2018-05-07
Adam Sieradzan
renamining + shielding parallel
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