The Michaelis complex was built using the crystal structure with PDB code 6Y2F as starting point. the substrate has the amino acid sequence Ac-Ser-Ala-Val-Leu-Gln-Ser-Gly-Phe-NMe.
This is a NVT simulation at 300 K performed with AMBER19 GPU using a 2 fs time step. SHAKE was used.
DURATION: 00:00:32
