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ssbond and file open error exception
2017-09-13
Cezary Czaplewski
ssbond and file open error exception
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2017-09-12
Cezary Czaplewski
pdb without CHAIN working again and plot fluct+bfactor
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2017-09-12
Cezary Czaplewski
min show dissulfides
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2017-09-12
Cezary Czaplewski
dissulfides in md movie and putty
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2017-09-12
Cezary Czaplewski
problems with json ssbond
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2017-09-12
Cezary Czaplewski
pdb with alternative conformations
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2017-09-10
Cezary Czaplewski
ssbond multichain pdb
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2017-09-10
Cezary Czaplewski
fraction of native side-chain concacts plot
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2017-09-10
Cezary Czaplewski
md pdbstart fluctuations
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2017-09-08
Cezary Czaplewski
registration and passwd reset
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2017-09-07
Cezary Czaplewski
ssbond with 1st res <> 1
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2017-08-27
Cezary Czaplewski
remd plot cleaning
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2017-08-27
Cezary Czaplewski
ntwe remd correction
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2017-08-27
Cezary Czaplewski
ntwx for remd (trajcache)
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2017-08-27
Cezary Czaplewski
plot rms vs step*replica added for remd
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2017-08-27
Cezary Czaplewski
new ff correction
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2017-08-26
Cezary Czaplewski
new force field option
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2017-08-26
Cezary Czaplewski
remd plot all ex with multiplexing correction
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2017-08-26
Cezary Czaplewski
remd all atom refinement correction on piasek4
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2017-08-26
Cezary Czaplewski
remd - amber all atom min refinement
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2017-08-26
Cezary Czaplewski
tmscore piasek4
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2017-08-26
Cezary Czaplewski
tmscore print correction
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2017-08-26
Cezary Czaplewski
tmscore print format correction
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2017-08-26
Cezary Czaplewski
print remd tmscore
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2017-08-26
Cezary Czaplewski
remd prob. correction format
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2017-08-26
Cezary Czaplewski
remd prob. correction
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2017-08-26
Cezary Czaplewski
print remd cluster probability
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2017-08-26
Cezary Czaplewski
rgyr correction
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2017-08-26
Cezary Czaplewski
md: radius of gyration plot
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2017-08-26
Cezary Czaplewski
etoh cherry merge correction
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2017-08-26
Cezary Czaplewski
filter stat files before plot
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2017-08-26
Cezary Czaplewski
remd ex plot from 0 step
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2017-08-26
Cezary Czaplewski
remd plot all ex with multiplexing
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2017-08-26
Cezary Czaplewski
printout as on etoh
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2017-08-22
Cezary Czaplewski
processing of wham pdb only for task.type=='remd'
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2017-08-22
Cezary Czaplewski
changes of os.chdir(instance.jobdirname) os.chdir(...
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2017-08-21
Cezary Czaplewski
free energy and ave rmsd for models in remd
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2017-08-21
Cezary Czaplewski
display tau and scal_fric only for correct thermostat
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2017-08-21
Cezary Czaplewski
initial git commit
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