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correction for idihconstr_end_homo, no differ in wham now
[unres.git]
/
source
/
cluster
/
wham
/
src-M
/
2016-06-19
Cezary Czaplewski
correction for idihconstr_end_homo, no differ in wham now
tree
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commitdiff
2016-06-14
Cezary Czaplewski
multichain wham and cluster_wham use readpdb_template
tree
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commitdiff
2016-06-11
Cezary Czaplewski
correction to the last commit - cleaning of homo restraints
tree
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commitdiff
2016-06-10
Cezary Czaplewski
multichain wham ignores conf. energies>10E6 and speed...
tree
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commitdiff
2016-05-19
Cezary Czaplewski
correction of dihedral homology restraints phi(i+3)
tree
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commitdiff
2016-05-12
Cezary Czaplewski
the first working version of multichain homology
tree
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commitdiff
2016-04-29
Cezary Czaplewski
ctest -DUNRES_MPIRUN=1 for tryton
tree
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commitdiff
2016-04-28
Cezary Czaplewski
ctest for src-M are off
tree
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commitdiff
2016-04-27
Cezary Czaplewski
ctest copied from prerelease
tree
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commitdiff
2016-04-12
Cezary Czaplewski
first and last GLY in seq gives correct energy in unres...
tree
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commitdiff
2016-03-18
Cezary Czaplewski
arcos = 0.5D0*(PI-DSIGN(1.0D0,X)*PI)
tree
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commitdiff
2016-01-28
Cezary Czaplewski
cleaning (links and backup files)
tree
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commitdiff
2016-01-28
Cezary Czaplewski
all CMakeLists.txt updated with corrected names and...
tree
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commitdiff
2015-05-07
Cezary Czaplewski
cmake compilation for cluster and wham repaired
tree
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commitdiff
2015-01-19
Adam Sieradzan
dzialajacy wham+poprawka w funckji energi+ poprawka...
tree
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commitdiff
2014-12-18
Adam Kazimierz Sie...
dodanie czytania wagi wsccor do clustrowania-M
tree
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commitdiff
2014-12-18
Adam Kazimierz Sie...
Wstawnieni SCCOR dla clustrowania. Nie wiadomo czy...
tree
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commitdiff
2014-11-28
Adam Liwo
Trying to bring files - continued
tree
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commitdiff
2014-11-27
Adam Liwo
Fixed Makefiles, handle all force fields thru appropria...
tree
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commitdiff
2014-10-27
Dawid Jagiela
1) binaries are compiled into /bin subdirectory of...
tree
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commitdiff
2014-10-26
Dawid Jagiela
switched to CMake FindMPI module in all source files...
tree
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commitdiff
2014-10-08
Cezary Czaplewski
correct default option for compilers in cluster CmakeLi...
tree
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commitdiff
2013-01-10
Dawid Jagiela
fixed missing closing bracket
tree
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commitdiff
2013-01-10
Dawid Jagiela
WHAM -DISNAN fix
tree
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commitdiff
2013-01-10
Dawid Jagiela
added UNRES_MD_FF setting for WHAM in (wham & cluster...
tree
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commitdiff
2012-12-19
Dawid Jagiela
poprawki w COMMONAch
tree
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes in local_move.f, energy_p_new.F & initia...
tree
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commitdiff
2012-11-23
Dawid Jagiela
force legacy standard for gfortran
tree
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commitdiff
2012-10-31
Dawid Jagiela
fix tcpu function in cluster/wham for gfortran
tree
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commitdiff
2012-07-18
Adam Liwo
Implement minor changes on branch adam
tree
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commitdiff
2012-06-18
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2012-06-14
Adam Liwo
6/14/2012 by Adam
tree
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commitdiff
2012-05-26
Dawid Jagiela
added header for proc_proc.c
tree
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commitdiff
2012-05-26
Dawid Jagiela
compinfo.c warning supresion
tree
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commitdiff
2012-05-24
Dawid Jagiela
gfortran proc_proc.c build flags fix in source/cluster...
tree
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commitdiff
2012-05-20
Dawid Jagiela
added missing source cluster/wham/src-M
tree
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commitdiff
2012-05-20
Dawid Jagiela
cluster/wham hc.f gfortran fix
tree
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commitdiff
2012-05-20
Dawid Jagiela
include typo fixed + cleanup
tree
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commitdiff
2012-05-18
Dawid Jagiela
fixed ascii art frames in source/cluster/wham/src...
tree
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commitdiff
2012-05-16
Dawid Jagiela
added CMake files to build cluster/wham/src-M
tree
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commitdiff
2012-02-25
Dawid Jagieła
added source code
v.3.0
tree
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commitdiff