# Path: acpype/params.py
# MAXTIME = 3 * 3600
# TLEAP_TEMPLATE = """
# verbosity 1
# source %(leapAmberFile)s
# source %(leapGaffFile)s
# mods = loadamberparams %(acBase)s.frcmod
# %(res)s = loadmol2 %(acMol2FileName)s
# check %(res)s
# saveamberparm %(res)s %(acBase)s.prmtop %(acBase)s.inpcrd
# saveoff %(res)s %(acBase)s.lib
# quit
# """


import argparse
from acpype.params import MAXTIME, epilog, outTopols, usage
        dest="inpcrd",
        help="amber inpcrd file name (always used with -p)",
    )
    parser.add_argument(
        "-p",
        "--prmtop",
        action="store",
        dest="prmtop",
        help="amber prmtop file name (always used with -x)",
    )
    parser.add_argument(
        "-c",
        "--charge_method",
        choices=["gas", "bcc", "user"],
        action="store",
        default="bcc",
        dest="charge_method",
        help="charge method: gas, bcc (default), user (user's charges in mol2 file)",
    )
    parser.add_argument(
        "-n",
        "--net_charge",
        action="store",
        type=int,
        default=None,
        dest="net_charge",
        help="net molecular charge (int), it tries to guess it if not not declared",
    )
    parser.add_argument(
        "-m",

# Path: acpype/params.py
# MAXTIME = 3 * 3600
# TLEAP_TEMPLATE = """
# verbosity 1
# source %(leapAmberFile)s
# source %(leapGaffFile)s
# mods = loadamberparams %(acBase)s.frcmod
# %(res)s = loadmol2 %(acMol2FileName)s
# check %(res)s
# saveamberparm %(res)s %(acBase)s.prmtop %(acBase)s.inpcrd
# saveoff %(res)s %(acBase)s.lib
# quit
# """


# Path: acpype/parser_args.py
import argparse
from acpype.params import MAXTIME, epilog, outTopols, usage

        dest="inpcrd",
        help="amber inpcrd file name (always used with -p)",
    )
    parser.add_argument(
        "-p",
        "--prmtop",
        action="store",
        dest="prmtop",
        help="amber prmtop file name (always used with -x)",
    )
    parser.add_argument(
        "-c",
        "--charge_method",
        choices=["gas", "bcc", "user"],
        action="store",
        default="bcc",
        dest="charge_method",
        help="charge method: gas, bcc (default), user (user's charges in mol2 file)",
    )
    parser.add_argument(
        "-n",
        "--net_charge",
        action="store",
        type=int,
        default=None,
        dest="net_charge",
        help="net molecular charge (int), it tries to guess it if not not declared",
    )
    parser.add_argument(
        "-m",

        "--multiplicity",