Msm-pele

Latest version: v1.1.1

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1.0.3

1) Moved to xtc PELE version.
2) Assesing SASAmin&SASmax in control file on the fly to better discretize among closer concentration values

1.0.2

Main Features:
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1) Two levels of exhaustiveness on PELE exploration (SP/XP) --precision flag
2) Add rotamer resolution option --gridres and output folder restart --folder

Future implementations: Better MSM discretization using tICA, and support of .xtc PELE to increase space efficiency.

1.0.1

First production version with an optimize Adaptive exit but still not enough cross talk between micro states when sampling with pele (next versions).

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