XTP_MAP(1)

📦
version 2025.1 · 3 versions
, in debian trixie, fedora 43, fedora 44, ubuntu questing, ubuntu resolute

💖 xtp_map — bestie edition 💖

okay so this is xtp_map, and it lives in the General Commands Manual section, aka section 1. it's part of the VOTCA package, and honestly? she's giving main character energy. let's get into it 🫶

✨ NAME ✨

xtp_map — Part of the VOTCA package. that's the whole name entry bestie, she keeps it mysterious 💅

✨ SYNOPSIS ✨

xtp_map [OPTIONS]
xtp_map [--help]

literally that's it. run her with options, or just beg for help. iconic either way 🌸

✨ DESCRIPTION ✨

Generates QM|MD topology. that's the vibe. that's what she does. no cap 🔥

✨ OPTIONS ✨

Allowed options, and yes we're listing every single one because we don't skip 💖:

  • -h, --help — display this help and exit. she's helpful, she's kind, she's the moment 🎀
  • --verbose — be loud and noisy 🗣️
  • --verbose1 — be very loud and noisy 😭
  • -v, --verbose2 — be extremly loud and noisy. (yes, "extremly", that's how she spells it, we respect her spelling 🫶) 💀
  • -t, --topology arg — topology
  • -c, --coordinates arg — coordinates or trajectory 🦋
  • -s, --segments arg — definition of segments and fragments
  • -m, --makesegments — write out a skeleton segments file 💀
  • -f, --file arg — state file
  • -i, --first-frame arg (=0) — start from this frame. default is 0 ⭐
  • -b, --begin arg (=0) — start time in simulation. default is 0 🌈
  • -n, --nframes arg (=1) — number of frames to process. default is 1 ✨

✨ AUTHORS ✨

Written and maintained by the VOTCA Development Team <devs@votca.org> — shoutout to the devs, they ate and left no crumbs 👑

Copyright 2009-2024 The VOTCA Development Team (http://www.votca.org)

Licensed under the Apache License, Version 2.0 (the "License"); you may not use this file except in compliance with the License. You may obtain a copy of the License at

http://www.apache.org/licenses/LICENSE-2.0

Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License.

ngl bestie, the legal bits are the legal bits — read them, they're real, don't skip them 🙈

and that's the whole page! this one came from the VOTCA Development Team, it's the xtp_map User Manual, and it's filed under XTP_MAP(1) 💜 slay, bye bestie 🧚

📦 where this page comes from