MPI shield
[unres4.git] / source / unres / data / energy_data.f90
2018-05-02 Adam SieradzanMPI shield
2018-03-23 Adam SieradzanMerge branch 'UCGM' of mmka.chem.univ.gda.pl:unres4...
2018-03-23 Adam Sieradzanchanges for phosphorylated amino-acid
2018-02-06 Emilia Lubeckanewest dihed constr added
2018-01-30 Adam Sieradzanchanges to debug
2018-01-11 Adam Sieradzancorrection in returnbox
2017-11-29 Adam Sieradzanworking peptide-phosphate
2017-11-27 Adam Sieradzanworking side-chain phosphate
2017-11-22 Adam Sieradzanworking base with peptide group
2017-11-05 Adam Sieradzanworking SC-base energy
2017-09-29 Adam Sieradzanworking microcanonical for CA2+ protein
2017-08-16 Adam Sieradzanworking gradient
2017-08-11 Adam Sieradzanenergi calculation working (no weights!)
2017-08-11 Adam Sieradzanworking ESBLOC
2017-08-09 Adam Sieradzanworkink EVDW i EES for PP,SB,PSB- warning energies...
2017-08-06 Adam Sieradzanworking torsional
2017-08-06 Adam Sieradzanadding ebend_nucl to UCGM+some further reading
2017-08-02 Adam Sieradzanreading from extended mutliple sequence
2017-08-01 Adam SieradzanThe itype(;) extension to itype(:,:)
2017-07-31 Adam Sieradzantriss; AFM; Lorentz restrains included -debug might...
2017-07-14 Adam Sieradzanworking nano
2017-07-06 Adam Sieradzanworking energy for shield and lipid wrong gradient
2017-04-25 Adam SieradzanPBC working for EGB (only)
2017-04-20 Emilia Lubeckacorrections of max... ranges of arrays
2016-10-14 Cezary Czaplewskiunres_package_Oct_2016 from emilial