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Martin Kurečka
Plumed AlphaFold
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ab86480116bf18db2941f99fe451e11983517dc1
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Created with Raphaël 2.2.0
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Neighbour list: now also mpi parallel
extended regtest to cover COORD
neighbor list are now OpenMP parallel
CS2Back: small performance improvements
spelling
more spelling
fixed few examples
metainference: fixed example
Merge branch 'v2.6'
Merge branch 'v2.5' into v2.6
Merge branch 'v2.4' into v2.5
Update docs of ENERGY CV (#577)
Update docs of ENERGY CV (#577)
fix one example and some spelling
jcoupling and gyration log
I modified regex behavior so that if nothing matches the requested regex
PBMETAD: regtest updated
PBMETAD: using 1/5 of sigma for grid binning everywhere
Merge branch 'v2.6'
Merge branch 'v2.5' into v2.6
Explain when installing VMD plugins is needed
Merge pull request #573 from plumed/remove-amber18
Removed amber18 patch
Merge branch 'v2.6'
Added note about amber20 compatibility with plumed
better explanation of ADAPTIVE_SIGMA_STRIDE
fix minor issue with first step and counter, also when restarting
Merge branch 'v2.6'
Merge branch 'v2.5' into v2.6
Fixed plumedcheck
Removed import only needed in python2
New module (FISST) for Infinite Switch Simulated Tempering in Force (#570)
Plumedbot commit: headers (#568)
long double in neff estimation and better handling of single temperature/pressure
added postprocessing python scripts
further cleanup regarding communication
fixed possible issue with multiple walkers and restart
Implementation of the general metric for path collective variables (#566)
Implementation of the projection on axis CV (#565)
Merge branch 'v2.6'
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