PRINT_ENERGY
- NAME
PRINT_ENERGY - print out (unscaled) energies terms
- SYNOPSIS
PRINT_ENERGY fplot OPEN filename
- 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.
procacci
2021-12-29