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isnan_pgi
[unres.git]
/
source
/
unres
/
src_MD
/
readrtns.F
2017-02-23
Cezary Czaplewski
checkgrad_inc added to input for checkgrad cart
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2016-08-23
Cezary Czaplewski
Lorenz restraints on distances
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2016-06-11
Cezary Czaplewski
correction to the last commit - cleaning of homo restraints
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2016-06-10
Cezary Czaplewski
multichain wham ignores conf. energies>10E6 and speed...
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2016-06-08
Cezary Czaplewski
single chain correction of dihedral homology restraints...
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2016-04-29
Cezary Czaplewski
next correction to last commit with DIST2_CUT
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2016-04-29
Cezary Czaplewski
correction to last commit with DIST2_CUT
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2016-04-29
Cezary Czaplewski
DIST2_CUT introduced for homology to remove restraints
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2016-04-29
Cezary Czaplewski
sigma read from *.sco without 0.5d0*(rescore_tmp+0...
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2016-04-28
Cezary Czaplewski
mremd with homology constrains can start each replica...
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2016-04-12
Cezary Czaplewski
first and last GLY in seq gives correct energy in unres...
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2016-03-04
Cezary Czaplewski
Adam's changes to avoid wrong XG.. or ..GX sequence...
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2016-03-03
Cezary Czaplewski
corrections to changes form nostromo
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2016-03-03
Cezary Czaplewski
changes from nostromo
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2015-08-01
Cezary Czaplewski
read2sigma - now without this option code works as...
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2015-07-31
Cezary Czaplewski
restoring read2sigma code after wrong merge
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2015-07-31
Cezary Czaplewski
Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...
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2015-07-31
Cezary Czaplewski
new format of read2sigma *sco files (res number in...
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2015-07-31
Adam Liwo
Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...
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2015-07-31
Adam Liwo
By AL: fixed FGPROCS>1 problem in HMREMD; iset passed...
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2015-07-21
Cezary Czaplewski
read2sigma supports separate domain definition in...
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2015-07-17
Cezary Czaplewski
the first version of READ2SIGMA - the same domains...
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2015-06-17
Adam Liwo
Added ifdefs to include/exlucde DFA becuase of the...
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2015-06-07
Adam Liwo
Added an option to compile unres, wham, and cluster...
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2015-06-07
Adam Liwo
Fixes made in connection to Hamiltonian replica exchang...
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2015-03-17
Cezary Czaplewski
remd with homol_nset>1 working with FG parallelization
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2015-03-06
Felipe Pineda
Lorentzian-type distance restraint energy implemented
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2015-03-04
Felipe Pineda
Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...
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2015-03-04
Felipe Pineda
After final fix by AL
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2015-03-03
Cezary Czaplewski
REMD with HOMOL_NSET>1 and single weight for all homolo...
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2015-02-25
Felipe Pineda
Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...
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2015-02-20
Felipe Pineda
Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...
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2015-02-12
Felipe Pineda
1st running version of UNRES HM by FP and AL
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2014-11-28
Cezary Czaplewski
testing 2D replica exchange with FPROCS>1
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2014-11-07
Cezary Czaplewski
2D replica exchange with homology constraints
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2014-10-17
Felipe Pineda
Adam's homology version of unres with new readpdb.F...
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2013-02-19
Cezary Czaplewski
dyn_ss and other finegrain printout cleaning
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2013-02-18
Cezary Czaplewski
dynamic dissulfides with finegrain parallelization
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2013-02-18
Adam Liwo
8/11/12 by Adam: fixed disulfide bridge problems
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2013-02-17
Cezary Czaplewski
dyn_ss writing pdb and ihpb cleaning
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2013-02-15
Cezary Czaplewski
dynamic SS from old Maurizio's code
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2012-10-17
Adam Liwo
Commit 10/17/12 Adam
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2012-07-18
Adam Kazimierz Sie...
Revert "Merge branch 'adasko' into devel"
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2012-07-17
Adam Kazimierz Sie...
D i L aminokwasy dzialajace dla src_MD
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2012-07-05
Adam Kazimierz Sie...
Rozgrzebany DIL
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2012-06-18
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
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2012-06-18
Adam Kazimierz Sie...
Merge branch 'adasko' into devel
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2012-06-18
Adam Kazimierz Sie...
zmiany po usunieciu diagnostyki...
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2012-06-14
Adam Liwo
6/14/2012 by Adam
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2012-06-11
Adam Liwo
6/11/2012 Update of the CSA version
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2012-05-13
Adam Liwo
5/13/2012 by Adam
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2012-05-13
Adam Liwo
5/13/2012 by Adam
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2012-05-07
Dawid Jagiela
fixed ctest/cmake files for src_MD build
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2012-03-28
Cezary Czaplewski
final changes to remove CSA from MD version of the...
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