Chicken villin subdomain HP-35, N68H, pH6.7 (1YRF) the shortest folding trajectory obtained with GPA* algorithm (run 1). This is the best conformation according to the AND_H metric. GPA* metrics: RMSD, Dihedral angles, Contact map (AND, AND_H, XOR) MD package: GROMACS 2019.3 Force field: CHARM36-nov2018 Temperature : 300 K Simulation step: 20 ps Shortest RMSD from the NMR structure: 2.833 Å Contact Ivan Syzonenko or Joshua L. Phillips @ MTSU for more information.
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