projects
/
unres.git
/ search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅ next
wham & cluster src_MD-M new HOMOL energy
2015-09-30
Adam Liwo
Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...
commit
|
commitdiff
|
tree
2015-09-30
Adam Liwo
Added main_clust.F
commit
|
commitdiff
|
tree
2015-09-15
Adam Liwo
Added newly created cluster exe and makefile
commit
|
commitdiff
|
tree
2015-08-11
Adam Liwo
Minor change in unres-cluster DIMENSIONS
commit
|
commitdiff
|
tree
2015-08-11
Adam Liwo
Cluster/unres modified to read MD coordinates in CX...
commit
|
commitdiff
|
tree
2015-08-01
Adam Liwo
Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...
commit
|
commitdiff
|
tree
2015-07-31
Adam Liwo
pulled readrtns
commit
|
commitdiff
|
tree
2015-07-31
Adam Liwo
Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...
commit
|
commitdiff
|
tree
2015-07-31
Adam Liwo
By AL: fixed FGPROCS>1 problem in HMREMD; iset passed...
commit
|
commitdiff
|
tree
2015-07-18
Adam Liwo
Added putting secondary-structure information to the...
commit
|
commitdiff
|
tree
2015-07-17
Adam Liwo
Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...
commit
|
commitdiff
|
tree
2015-07-17
Adam Liwo
Added Makefiles
commit
|
commitdiff
|
tree
2015-07-09
Adam Liwo
Fixed the "***" issue in PDB output format by shifting...
commit
|
commitdiff
|
tree
2015-06-28
Adam Liwo
Fixes to compile WHAM and CLUSTER on AIX (nostromo...
commit
|
commitdiff
|
tree
2015-06-17
Adam Liwo
Added ifdefs to include/exlucde DFA becuase of the...
commit
|
commitdiff
|
tree
2015-06-12
Adam Liwo
Fixed the homology gradient in finegrain mode
commit
|
commitdiff
|
tree
2015-06-07
Adam Liwo
Added an option to compile unres, wham, and cluster...
commit
|
commitdiff
|
tree
2015-06-07
Adam Liwo
Fixes made in connection to Hamiltonian replica exchange...
commit
|
commitdiff
|
tree
2015-05-28
Adam Liwo
Fixed main module of WHAM
commit
|
commitdiff
|
tree
2015-05-14
Adam Liwo
Fixed the following components:
commit
|
commitdiff
|
tree
2015-05-13
Adam Liwo
Fixed a MAJOR error in WHAM; energies were computed...
commit
|
commitdiff
|
tree
2015-01-24
Adam Liwo
Corrected refsys.f in src_MD-M
commit
|
commitdiff
|
tree
2015-01-23
Adam Liwo
refsys
commit
|
commitdiff
|
tree
2015-01-23
Adam Liwo
Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
commit
|
commitdiff
|
tree
2015-01-23
Adam Liwo
Corrected refsys.f in src_MD-M
commit
|
commitdiff
|
tree
2015-01-05
Adam Liwo
Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
commit
|
commitdiff
|
tree
2015-01-05
Adam Liwo
Added cinfo
commit
|
commitdiff
|
tree
2015-01-05
Adam Liwo
MREMD corrected; Langevin mode (bcast instead of scatter...
commit
|
commitdiff
|
tree
2014-12-12
Adam Liwo
Again, documentation updated
commit
|
commitdiff
|
tree
2014-12-12
Adam Liwo
Documentation updated
commit
|
commitdiff
|
tree
2014-12-11
Adam Liwo
Minor change in documentation (installman)
commit
|
commitdiff
|
tree
2014-12-11
Adam Liwo
Updated changelog, added minimization-only version...
commit
|
commitdiff
|
tree
2014-12-11
Adam Liwo
Created binaries and fixed bugs when compiling single...
commit
|
commitdiff
|
tree
2014-12-04
Adam Liwo
Added the change docs by Adam
commit
|
commitdiff
|
tree
2014-12-04
Adam Liwo
Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
commit
|
commitdiff
|
tree
2014-12-04
Adam Liwo
Yet more changes in the documentation ( by Adam)
commit
|
commitdiff
|
tree
2014-12-04
Adam Liwo
Revised documentation by Adam
commit
|
commitdiff
|
tree
2014-11-28
Adam Liwo
Updated INSTALL
commit
|
commitdiff
|
tree
2014-11-28
Adam Liwo
Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
commit
|
commitdiff
|
tree
2014-11-28
Adam Liwo
Updated INSTALL
commit
|
commitdiff
|
tree
2014-11-28
Adam Liwo
Trying to bring files - continued
commit
|
commitdiff
|
tree
2014-11-28
Adam Liwo
Trying to bring the csa.F file to the repository.
commit
|
commitdiff
|
tree
2014-11-27
Adam Liwo
Additional fix of xdrfpdb binaries (creation of bin...
commit
|
commitdiff
|
tree
2014-11-27
Adam Liwo
Fixed Makefiles, handle all force fields thru appropriate...
commit
|
commitdiff
|
tree
2013-02-18
Adam Liwo
Added refsys.f to src_CSA_DiL
commit
|
commitdiff
|
tree
2013-02-18
Adam Liwo
refsys deleted from readpdb.F in srd_CSA_DiL
commit
|
commitdiff
|
tree
2013-02-18
Adam Liwo
Added refsysy to Cmakelists
commit
|
commitdiff
|
tree
2013-02-18
Adam Liwo
8/11/12 by Adam: fixed disulfide bridge problems
commit
|
commitdiff
|
tree
2013-02-17
Adam Liwo
Fixed the addition of dummy chain ends to structures...
commit
|
commitdiff
|
tree
2012-10-17
Adam Liwo
10/17/2012 by Adam: Implemented sideadd correction...
commit
|
commitdiff
|
tree
2012-10-17
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
commit
|
commitdiff
|
tree
2012-10-17
Adam Liwo
Merge branch 'adam' into devel
commit
|
commitdiff
|
tree
2012-10-17
Adam Liwo
Commit 10/17/12 Adam
commit
|
commitdiff
|
tree
2012-10-01
Adam Liwo
Commit 10/1/12
commit
|
commitdiff
|
tree
2012-09-20
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
commit
|
commitdiff
|
tree
2012-09-20
Adam Liwo
Update
commit
|
commitdiff
|
tree
2012-09-20
Adam Liwo
Sept 20/2012 by Adam: commit changes mostly in the...
commit
|
commitdiff
|
tree
2012-07-18
Adam Liwo
Merge branch 'devel' into adam
commit
|
commitdiff
|
tree
2012-07-18
Adam Liwo
cinfo
commit
|
commitdiff
|
tree
2012-07-18
Adam Liwo
Implement minor changes on branch adam
commit
|
commitdiff
|
tree
2012-07-05
Adam Liwo
Merge branch 'adam' into devel
commit
|
commitdiff
|
tree
2012-07-05
Adam Liwo
Minor change
commit
|
commitdiff
|
tree
2012-07-05
Adam Liwo
Minor change
commit
|
commitdiff
|
tree
2012-07-05
Adam Liwo
Merge branch 'adam' into devel
commit
|
commitdiff
|
tree
2012-07-05
Adam Liwo
5/7/2012 by Adam
commit
|
commitdiff
|
tree
2012-06-18
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
commit
|
commitdiff
|
tree
2012-06-18
Adam Liwo
Merge branch 'adam' into devel
commit
|
commitdiff
|
tree
2012-06-15
Adam Liwo
6/15/2012 by Adam
commit
|
commitdiff
|
tree
2012-06-14
Adam Liwo
6/14/12 by Adam: unnecessary files deleted
commit
|
commitdiff
|
tree
2012-06-14
Adam Liwo
6/14/12 by Adam - changes committed
commit
|
commitdiff
|
tree
2012-06-14
Adam Liwo
6/14/2012 by Adam
commit
|
commitdiff
|
tree
2012-06-11
Adam Liwo
6/11/2012 by Adam
commit
|
commitdiff
|
tree
2012-06-11
Adam Liwo
6/11/2012 by Adam
commit
|
commitdiff
|
tree
2012-06-11
Adam Liwo
6/11/2012 Changes of the CSA version
commit
|
commitdiff
|
tree
2012-06-11
Adam Liwo
6/11/2012 Update of the CSA version
commit
|
commitdiff
|
tree
2012-05-29
Adam Liwo
5/29/2012 by Adam
commit
|
commitdiff
|
tree
2012-05-20
Adam Liwo
5/20/2012 by Adam
commit
|
commitdiff
|
tree
2012-05-13
Adam Liwo
5/13/2012 by Adam
commit
|
commitdiff
|
tree
2012-05-13
Adam Liwo
5/13/2012 by Adam
commit
|
commitdiff
|
tree
2012-05-10
Adam Liwo
5/10/2012 by Adam
commit
|
commitdiff
|
tree
2012-04-02
Adam Liwo
New files added
commit
|
commitdiff
|
tree
2012-04-02
Adam Liwo
Makefiles for specific compilers and force fields created
commit
|
commitdiff
|
tree
2012-03-29
Adam Liwo
Added example files (1L2Y)
commit
|
commitdiff
|
tree
2012-03-29
Adam Liwo
Example input files for 1L2Y added
commit
|
commitdiff
|
tree
2012-03-29
Adam Liwo
Unnecessary object files removed
commit
|
commitdiff
|
tree
2012-03-29
Adam Liwo
Makefile_single_gfortran_oldparm corrected to include...
commit
|
commitdiff
|
tree
2012-03-21
Adam Liwo
xdrf2pdb-M.F: corrected order of reading
commit
|
commitdiff
|
tree
2012-03-21
Adam Liwo
plik1 deleted by Adam
commit
|
commitdiff
|
tree