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first changes for shielding
[unres.git]
/
source
/
unres
/
src_MD-M
/
energy_p_new_barrier.F
2015-08-06
Adam Sieradzan
first changes for shielding
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2015-08-06
Adam Sieradzan
Merge branch 'AFM' into multichain
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2015-08-06
Adam Sieradzan
intoduction of constant velocity for spring
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2015-07-31
Adam Sieradzan
First trial to introduce steered MD non successful
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2015-07-17
Adam Sieradzan
first attempt to indroduce AFM velocity
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2015-07-06
Adam Sieradzan
Merge branch 'multichain' of mmka:unres into multichain
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2015-06-30
rojas
Change in energy_p_new_barrier.F, in eelec, aorund...
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2015-06-26
Adam Sieradzan
Changes suggested by Ana
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2015-04-17
Adam Sieradzan
Zaimplementowany AFM
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2015-03-19
Adam Sieradzan
chyba dzialajacy lipid
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2015-03-18
Adam Sieradzan
Merge branch 'multichain' into lipid
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2015-03-18
Adam Sieradzan
correction of correlation potentials
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2015-03-18
Adam Sieradzan
poprawki w potencjalach
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2015-03-16
Adam Sieradzan
drobne poprawki
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2015-03-04
Adam Sieradzan
Merge branch 'multichain' of mmka:unres into lipid
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2015-03-04
Adam Sieradzan
correction in multichain
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2015-03-04
Adam Sieradzan
introduce lipid good grad wrong symplex
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2015-02-24
Adam Sieradzan
Merge branch 'master' into multichain
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2015-02-10
Adam Sieradzan
wprowadzenie lipidow
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2015-01-29
Adam Sieradzan
Introduction of lipid energy transfer
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2014-12-17
Adam Sieradzan
Merge branch 'master' of mmka:unres
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2014-12-17
Adam Sieradzan
Merge branch 'master' of mmka:unres into multichain
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2014-12-11
Adam Liwo
Created binaries and fixed bugs when compiling single...
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2014-07-24
Adam Kazimierz Sie...
After long DEBUG of energy function
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2014-05-25
Adam Kazimierz Sie...
zmiany, wylaczenie diagnostyki, dzialajacy WHAM
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2014-05-12
Adam Sieradzan
po przyspieszeniu przed checkgradem i sympcheckiem
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2014-05-08
Adam Sieradzan
Adjusted energy file (small improvement)
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2014-05-01
Adam Sieradzan
polepszenie wydajnosci algorytmu PBC
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2014-02-24
Adam Sieradzan
Working gradient for PBC
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2014-02-17
Adam Sieradzan
The wrong one gradient compontent...
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2014-02-08
Adam Sieradzan
zmiany w galezi multichain
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2014-01-29
Adam Sieradzan
DO zmiany czytanie pisanie i cutoff
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2013-11-18
Adam Sieradzan
dzialajacy gradient
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2013-11-14
Adam Sieradzan
Dzialajacy gradient dla reszt 13 i 7
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2013-11-14
Adam Sieradzan
zabezpieczenie przedczarkowe
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2013-11-05
Adam Sieradzan
pierwsza proba merga devela do adasko
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2013-09-02
Cezary Czaplewski
dynamic disulfides in multichain
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2013-08-31
Adam Kazimierz Sie...
1)Clean-up 2)making similar src_MD and its multichain...
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2013-07-16
Adam Sieradzan
NIE PEWNE ZMIANY ZWERYFIKUJ!!
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2013-02-18
Adam Liwo
8/11/12 by Adam: fixed disulfide bridge problems
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2013-02-18
Adam Liwo
8/11/12 by Adam: fixed disulfide bridge problems
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2012-12-18
Adam Sieradzan
Usuniecie diagnostyki
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2012-12-06
Adam Sieradzan
bugfix w whamie w parmreadzie
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2012-12-06
Adam Sieradzan
bugfix przekroczenia granic
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2012-12-03
Andrei Niadzvedtski
Zmiana w wham-m dla pola Yi
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2012-11-26
Adam Kazimierz Sie...
Usuniecie diagnostyki w dzialajacym polu yi src_MD-M
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2012-11-23
Adam Kazimierz Sie...
Dzialajace gradient dla src_MD-M dla pola Yi
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2012-11-23
Dawid Jagiela
gfortran fixes for src_MD-M
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2012-11-23
Dawid Jagiela
gfortran fixes for src_MD-M
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2012-11-21
Adam Kazimierz Sie...
Nowe potencjaly walencyjne dla pola Yi uwzgledniajace...
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2012-11-08
Adam Liwo
8/11/12 by Adam: fixed disulfide bridge problems
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2012-11-08
Adam Liwo
8/11/12 by Adam: fixed disulfide bridge problems
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2012-10-29
Adam Kazimierz Sie...
Wprowadzenie SCCOR dla wham-M
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2012-10-05
Adam Kazimierz Sie...
Poprawiony SCR_MD-M i dzialajacy
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2012-10-04
Adam Kazimierz Sie...
Wprowadznie potencjalow SC-COR do multichain oraz ich...
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2012-08-31
Adam Kazimierz Sie...
Zmiana 21 na ntyp1 w unres SRC_MD oraz SRC_MD-M
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2012-08-24
Adam Kazimierz Sie...
Dzialajaczy dla D aminokwasow whama(mono) psuedosymetri...
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2012-08-07
Adam Kazimierz Sie...
Running D-aminoacid after passed tests. Still problem...
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2012-05-14
Dawid Jagiela
ascii frames closed: unres/src_MD-M/energy_p_new_barr...
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2012-05-14
Dawid Jagiela
1) ASCII art frame fix in unres/src_MD-M/energy_p_new_b...
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2012-02-25
Dawid Jagieła
added source code
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