NAME
PRINT_ENERGY – print out (unscaled) energies terms
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SYNOPSIS
PRINT_ENERGY fplot OPEN filename
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DESCRIPTION
Controls intermediate printing of the unscaled energy
terms: (1) stretching+bending+improper torsions, (2) proper
torsions+1-4, (3) real space electrostatic+Lennard-Jones. The energy
terms are appended to the history file filename, along with the
time step and the replica index. The dumping frequency, in fs, is
fplot. |
EXAMPLES
PRINT 60.0 OPEN test.ene
Print energies to the file file test.ene every 60 fs. |
DEFAULTS
No info is printed.
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