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[unres4.git]
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source
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unres
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control.F90
2024-01-18
Adam Sieradzan
pleanty of changes
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2023-07-04
Adam Sieradzan
working martini
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2023-06-13
Adam Sieradzan
cleaning water
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2023-04-03
Adam Sieradzan
NEWCORR5D working with 15k, work and iwork in random_ve...
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2023-03-08
Adam Sieradzan
added NEWCORR5D
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2022-07-30
Adam Sieradzan
Merge branch 'UCGM' of mmka.chem.univ.gda.pl:unres4...
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2022-01-19
Adam Sieradzan
Adding MARTINI
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2021-05-21
Anna Antoniak
introdaction of homology into UNICORN
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2020-09-30
Anna Antoniak
Implementation of ions into NARES
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2020-03-18
Adam Sieradzan
working cutoff
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2018-05-07
Adam Sieradzan
renamining + shielding parallel
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2018-05-02
Adam Sieradzan
BUG found in SC-SC grad and FGPROC>1
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2018-05-02
Adam Sieradzan
MPI shield
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2018-04-06
Emilia Lubecka
changes for added xdrfpdb
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2018-01-29
Adam Sieradzan
debug changes
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2018-01-29
Adam Sieradzan
changes in wham and unres
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2017-11-30
Adam Sieradzan
correction in MREMD NPROC and writing and reading ...
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2017-11-29
Adam Sieradzan
working peptide-phosphate
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2017-11-27
Adam Sieradzan
working side-chain phosphate
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2017-11-22
Adam Sieradzan
working base with peptide group
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2017-11-05
Adam Sieradzan
working SC-base energy
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2017-09-29
Adam Sieradzan
working microcanonical for CA2+ protein
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2017-08-18
Adam Sieradzan
working microcanonical
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2017-08-16
Adam Sieradzan
working gradient
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2017-08-11
Adam Sieradzan
energi calculation working (no weights!)
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2017-08-11
Adam Sieradzan
working ESBLOC
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2017-08-09
Adam Sieradzan
workink EVDW i EES for PP,SB,PSB- warning energies...
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2017-08-06
Adam Sieradzan
working torsional
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2017-08-06
Adam Sieradzan
adding ebend_nucl to UCGM+some further reading
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2017-08-04
Adam Sieradzan
Merge branch 'devel' into UCGM
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2017-08-03
Adam Sieradzan
split matrices working reading pdb
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2017-08-02
Adam Sieradzan
reading from extended mutliple sequence
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2017-08-01
Adam Sieradzan
The itype(;) extension to itype(:,:)
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2017-07-31
Adam Sieradzan
triss; AFM; Lorentz restrains included -debug might...
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2017-07-14
Adam Sieradzan
working nano
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2017-07-06
Adam Sieradzan
working energy for shield and lipid wrong gradient
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2017-02-15
Cezary Czaplewski
cmake for unres4 wham
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