- 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.
procacci
2021-12-29