Good Morning,
I am interested in converting AMBER-generated velocities to LAMMPS-equivalent velocities to continue simulations with LAMMPS. Because the scale factor for the velocities in AMBER is 20.455 ps, (Angstroms/20.455 ps), and for LAMMPS this is 48.8821 fs (Angstroms/48.8821 fs), do I just need to use these conversion factors to convert to LAMMPS velocities?
Any advice would be greatly appreciated because I am a novice user of both AMBER and LAMMPS, even though I have more experience using AMBER. Thank you!
Olivia K. Meyer
she/her/hers
PhD Candidate, Kumari Lab
James L. Winkle College of Pharmacy, University of Cincinnati
231 Albert Sabin Way, Cincinnati, OH USA 45229
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Received on Tue Aug 27 2024 - 08:30:01 PDT
