mmka.chem.univ.gda.pl Git - unres.git/history - source/unres/src

[unres.git] / source / unres / src_MD / readrtns.F

2018-04-17	Cezary Czaplewski	rescore=0.2 rescore2=1.0 mdpdb append	blob \| commitdiff
2018-03-26	Cezary Czaplewski	READ_HOMOL_FRAG	blob \| commitdiff \| diff to current
2017-02-23	Cezary Czaplewski	checkgrad_inc added to input for checkgrad cart	blob \| commitdiff \| diff to current
2016-08-23	Cezary Czaplewski	Lorenz restraints on distances	blob \| commitdiff \| diff to current
2016-06-11	Cezary Czaplewski	correction to the last commit - cleaning of homo restraints	blob \| commitdiff \| diff to current
2016-06-10	Cezary Czaplewski	multichain wham ignores conf. energies>10E6 and speed...	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	next correction to last commit with DIST2_CUT	blob \| commitdiff \| diff to current
2016-04-29	Cezary Czaplewski	correction to last commit with DIST2_CUT	blob \| commitdiff \| diff to current
2016-04-29	Cezary Czaplewski	DIST2_CUT introduced for homology to remove restraints	blob \| commitdiff \| diff to current
2016-04-29	Cezary Czaplewski	sigma read from .sco without 0.5d0(rescore_tmp+0...	blob \| commitdiff \| diff to current
2016-04-28	Cezary Czaplewski	mremd with homology constrains can start each replica...	blob \| commitdiff \| diff to current
2016-04-12	Cezary Czaplewski	first and last GLY in seq gives correct energy in unres...	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
2016-03-03	Cezary Czaplewski	changes from nostromo	blob \| commitdiff \| diff to current
2015-08-01	Cezary Czaplewski	read2sigma - now without this option code works as...	blob \| commitdiff \| diff to current
2015-07-31	Cezary Czaplewski	restoring read2sigma code after wrong merge	blob \| commitdiff \| diff to current
2015-07-31	Cezary Czaplewski	Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...	blob \| commitdiff \| diff to current
2015-07-31	Cezary Czaplewski	new format of read2sigma *sco files (res number in...	blob \| commitdiff \| diff to current
2015-07-31	Adam Liwo	Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...	blob \| commitdiff \| diff to current
2015-07-31	Adam Liwo	By AL: fixed FGPROCS>1 problem in HMREMD; iset passed...	blob \| commitdiff \| diff to current
2015-07-21	Cezary Czaplewski	read2sigma supports separate domain definition in...	blob \| commitdiff \| diff to current
2015-07-17	Cezary Czaplewski	the first version of READ2SIGMA - the same domains...	blob \| commitdiff \| diff to current
2015-06-17	Adam Liwo	Added ifdefs to include/exlucde DFA becuase of the...	blob \| commitdiff \| diff to current
2015-06-07	Adam Liwo	Added an option to compile unres, wham, and cluster...	blob \| commitdiff \| diff to current
2015-06-07	Adam Liwo	Fixes made in connection to Hamiltonian replica exchang...	blob \| commitdiff \| diff to current
2015-03-17	Cezary Czaplewski	remd with homol_nset>1 working with FG parallelization	blob \| commitdiff \| diff to current
2015-03-06	Felipe Pineda	Lorentzian-type distance restraint energy implemented	blob \| commitdiff \| diff to current
2015-03-04	Felipe Pineda	Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...	blob \| commitdiff \| diff to current
2015-03-04	Felipe Pineda	After final fix by AL	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
2015-02-20	Felipe Pineda	Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...	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
2014-11-28	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
2013-02-19	Cezary Czaplewski	dyn_ss and other finegrain printout cleaning	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 SS from old Maurizio's code	blob \| commitdiff \| diff to current
2012-10-17	Adam Liwo	Commit 10/17/12 Adam	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
2012-07-05	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
2012-06-14	Adam Liwo	6/14/2012 by Adam	blob \| commitdiff \| diff to current
2012-06-11	Adam Liwo	6/11/2012 Update of the CSA version	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
2012-05-07	Dawid Jagiela	fixed ctest/cmake files for src_MD build	blob \| commitdiff \| diff to current
2012-03-28	Cezary Czaplewski	final changes to remove CSA from MD version of the...	blob \| commitdiff \| diff to current

UNRESPACK 3.x

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