projects
/
unres.git
/ history
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅ next
checkgrad_inc added to input for checkgrad cart
[unres.git]
/
source
/
unres
/
src_MD
/
energy_p_new_barrier.F
2017-02-23
Cezary Czaplewski
homology dihederal i-3 gradient correction src_MD
blob
|
commitdiff
2016-08-23
Cezary Czaplewski
Lorenz restraints on distances
blob
|
commitdiff
|
diff to current
2016-06-08
Cezary Czaplewski
single chain correction of dihedral homology restraints...
blob
|
commitdiff
|
diff to current
2016-04-29
Cezary Czaplewski
DIST2_CUT correction
blob
|
commitdiff
|
diff to current
2016-03-04
Cezary Czaplewski
Adam's changes to avoid wrong XG.. or ..GX sequence...
blob
|
commitdiff
|
diff to current
2016-03-03
Cezary Czaplewski
corrections to changes form nostromo
blob
|
commitdiff
|
diff to current
2016-02-17
Cezary Czaplewski
correction for homol_nset>1 and waga_homology(iset...
blob
|
commitdiff
|
diff to current
2015-10-27
Cezary Czaplewski
ENERGY_DEC printout works for ESTR
blob
|
commitdiff
|
diff to current
2015-10-26
Cezary Czaplewski
ENERGY_DEC printout works for ebend in E0LL2Y forcefield
blob
|
commitdiff
|
diff to current
2015-10-08
Cezary Czaplewski
energy_dec works with etors_d
blob
|
commitdiff
|
diff to current
2015-07-28
Cezary Czaplewski
bugfix for read2sigma with different domain definition...
blob
|
commitdiff
|
diff to current
2015-07-21
Cezary Czaplewski
read2sigma supports separate domain definition in...
blob
|
commitdiff
|
diff to current
2015-06-28
Adam Liwo
Fixes to compile WHAM and CLUSTER on AIX (nostromo...
blob
|
commitdiff
|
diff to current
2015-06-17
Adam Liwo
Added ifdefs to include/exlucde DFA becuase of the...
blob
|
commitdiff
|
diff to current
2015-06-12
Adam Liwo
Fixed the homology gradient in finegrain mode
blob
|
commitdiff
|
diff to current
2015-05-14
Adam Liwo
Fixed the following components:
blob
|
commitdiff
|
diff to current
2015-05-06
Cezary Czaplewski
minimization in int works with FGPROCS>1
blob
|
commitdiff
|
diff to current
2015-04-16
Felipe Pineda
WHAM and CLUSTER with HM restraints by AL and FP
blob
|
commitdiff
|
diff to current
2015-03-06
Felipe Pineda
Lorentzian-type distance restraint energy implemented
blob
|
commitdiff
|
diff to current
2015-03-03
Cezary Czaplewski
REMD with HOMOL_NSET>1 and single weight for all homolo...
blob
|
commitdiff
|
diff to current
2015-02-25
Felipe Pineda
Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...
blob
|
commitdiff
|
diff to current
2015-02-25
Felipe Pineda
Merge branch 'master' of mmka.chem.univ.gda.pl:unres...
blob
|
commitdiff
|
diff to current
2015-02-20
Felipe Pineda
Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...
blob
|
commitdiff
|
diff to current
2015-02-19
Adam Sieradzan
EBE change in prerealese-3.2.1 make dummy atom idependent
blob
|
commitdiff
|
diff to current
2015-02-12
Felipe Pineda
1st running version of UNRES HM by FP and AL
blob
|
commitdiff
|
diff to current
2014-12-30
Adam Sieradzan
wprowadzenie do multichaina SCcorr
blob
|
commitdiff
|
diff to current
2014-12-18
Adam Kazimierz Sie...
Wprowadzenie SCCOR dla wham-M
blob
|
commitdiff
|
diff to current
2014-11-28
Cezary Czaplewski
testing 2D replica exchange with FPROCS>1
blob
|
commitdiff
|
diff to current
2014-11-07
Cezary Czaplewski
2D replica exchange with homology constraints
blob
|
commitdiff
|
diff to current
2014-10-17
Felipe Pineda
Adam's homology version of unres with new readpdb.F...
blob
|
commitdiff
|
diff to current
2013-08-31
Adam Kazimierz Sie...
wylaczenie diagnostyki
blob
|
commitdiff
|
diff to current
2013-08-31
Adam Kazimierz Sie...
zmiany w prereleasie drobne
blob
|
commitdiff
|
diff to current
2013-02-18
Cezary Czaplewski
dynamic dissulfides with finegrain parallelization...
blob
|
commitdiff
|
diff to current
2013-02-18
Cezary Czaplewski
dynamic dissulfides with finegrain parallelization
blob
|
commitdiff
|
diff to current
2013-02-18
Adam Liwo
8/11/12 by Adam: fixed disulfide bridge problems
blob
|
commitdiff
|
diff to current
2013-02-17
Cezary Czaplewski
dyn_ss writing pdb and ihpb cleaning
blob
|
commitdiff
|
diff to current
2013-02-15
Cezary Czaplewski
dynamic disulfides are working again in md
blob
|
commitdiff
|
diff to current
2013-02-15
Cezary Czaplewski
dynamic SS from old Maurizio's code
blob
|
commitdiff
|
diff to current
2012-11-23
Dawid Jagiela
some gfortran warning fixes
blob
|
commitdiff
|
diff to current
2012-09-20
Adam Liwo
Update
blob
|
commitdiff
|
diff to current
2012-07-18
Adam Kazimierz Sie...
Revert "Merge branch 'adasko' into devel"
blob
|
commitdiff
|
diff to current
2012-07-17
Adam Kazimierz Sie...
D i L aminokwasy dzialajace dla src_MD
blob
|
commitdiff
|
diff to current
2012-07-09
Adam Kazimierz Sie...
D i L aminokwasy tuz przed testami
blob
|
commitdiff
|
diff to current
2012-07-06
Adam Kazimierz Sie...
zmiana do DiL
blob
|
commitdiff
|
diff to current
2012-07-05
Adam Kazimierz Sie...
Rozgrzebany DIL
blob
|
commitdiff
|
diff to current
2012-06-18
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
blob
|
commitdiff
|
diff to current
2012-06-18
Adam Kazimierz Sie...
Merge branch 'adasko' into devel
blob
|
commitdiff
|
diff to current
2012-06-18
Adam Kazimierz Sie...
zmiany po usunieciu diagnostyki...
blob
|
commitdiff
|
diff to current
2012-06-15
Adam Kazimierz Sie...
dzialajacy grad check....
blob
|
commitdiff
|
diff to current
2012-06-14
Adam Kazimierz Sie...
Dzialajacy INTERTYP=1 i INTERTYP=2
blob
|
commitdiff
|
diff to current
2012-06-05
Adam Kazimierz Sie...
UDALO SIE TERAZ DEBUG
blob
|
commitdiff
|
diff to current
2012-05-29
Adam Kazimierz Sie...
kolejna
blob
|
commitdiff
|
diff to current
2012-05-29
Adam Kazimierz Sie...
zmienionwe zostaly i zostal chyba tylko int to cart...
blob
|
commitdiff
|
diff to current
2012-05-29
Adam Kazimierz Sie...
sadas
blob
|
commitdiff
|
diff to current
2012-05-13
Adam Liwo
5/13/2012 by Adam
blob
|
commitdiff
|
diff to current
2012-05-13
Adam Liwo
5/13/2012 by Adam
blob
|
commitdiff
|
diff to current
2012-05-10
Dawid Jagiela
closing asci-art frames in energy_p_new_barrier.F files...
blob
|
commitdiff
|
diff to current
2012-05-10
Adam Liwo
5/10/2012 by Adam
blob
|
commitdiff
|
diff to current
2012-04-19
Dawid Jagiela
CMake project files added
blob
|
commitdiff
|
diff to current
2012-03-28
Cezary Czaplewski
removal of CSA from MD version of code
blob
|
commitdiff
|
diff to current
2012-02-25
Dawid Jagieła
added source code
v.3.0
blob
|
commitdiff
|
diff to current