ASCII

NAME
ASCII - Write solute and solvent coordinates to a history PDB file
SYNOPSIS
ASCII  fplot   OPEN  filename
DESCRIPTION
This command is active both for solute and solvent molecules. It writes a history PDB file containing the system coordinates. The centers of mass of all molecules are always inside the simulations cell. The dumping frequency, in fs, is fplot. At each writing the system coordinates in PDB format are appended to the history file filename.
EXAMPLES
ASCII 10.0 OPEN test.pdb
Write system coordinates to the history pdb file test.pdb every 10 fs.
WARNINGS
Work only during the acquisition phase (see TIME in environment &RUN).


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procacci 2021-12-29