DEBUG

NAME
DEBUG - Print debug information
SYNOPSIS
DEBUG all
DEBUG   debug_type
DESCRIPTION
Print various arrays to the standard output for debugging. Information regarding the solute topology and force field is written only if the solute topology and parameter list is actually computed and not read from a binary file (i.e. READ_TPGPRM_BIN in &PARAMETERS must be inactive). The debug_type string can be
residue_sequence
The residue sequence is printed.
bond_table
Details about bonds and corresponding stretching parameters are printed.
bend_table
Details about bending and corresponding parameters are printed.
ptors_table
Details about proper torsions and corresponding parameters are printed.
pitors_table
Details about improper torsions and corresponding parameters are printed.
EXAMPLES
DEBUG all
print out all tables.

DEBUG   bond_table
DEBUG   bend_table
DEBUG   residue_sequence
print out the bond and bending table and the residue sequence.


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procacci 2021-12-29