GENESIS

rst_convert

This tool can convert a restart file in the GENESIS format (rstfile) to the PDB file. If the user wants to wrap molecules into the unit cell, specify pbc_correct = MOLECULE in [OPTION]. The restart files that were generated from REMD simulations can be also treated by using {} in the file name (For details, see the usage by rst_convert -h ctrl).

[INPUT]
rstfile       = input.rst     # GENESIS restart file
pdbfile       = input.pdb     # PDB file
psffile       = input.psf     # protein structure file

[OUTPUT]
pdbfile       = output.pdb    # PDB file

[OPTION]
check_only    = NO
rstin_format  = GENESIS
rstout_format = PDB
rstout_type   = AUTO
pbc_correct   = NO            # (NO/MOLECULE)
shift_coord   = 0.0 0.0 0.0   # displacement of translation