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. 2015 May 7;5(4):310–323. doi: 10.1002/wcms.1220

FIGURE 2.

FIGURE 2

File input/output in GENESIS. (a) Scheme in standard MD simulations. PDB, Protein Data Bank; PSF, Protein Structure File; PAR, Parameter; RST, restart file. Coordinates and velocities are generated in the standard DCD file format. (b) Scheme in REMD simulations. REM, parameter index file. (c) Scheme in large-scale MD simulations. PRST, parallel restart files; PCRD, parallel coordinates files.