CSG_BOLTZMANN(1)

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

💖 CSG_BOLTZMANN 💖

okay bestie, welcome to the csg_boltzmann manual page, straight outta the General Commands Manual section of your fave VOTCA package. sit down, grab a strawberry 🍓, and let's get into it.

✨ NAME ✨

csg_boltzmann — part of the VOTCA package 🫶

🌸 SYNOPSIS 🌸

csg_boltzmann [OPTIONS]
csg_boltzmann [--help]

💅 DESCRIPTION 💅

so basically it performs tasks that are needed for simple boltzmann inversion — and it does it in an interactive environment. that's the whole vibe. it's giving "let me just do this one thing real quick" and honestly? iconic. 👑

🎀 OPTIONS 🎀

allowed options (the basics, no cap)

  • -h, --help — displays this help and then dips, exit stage left. 🚪
  • --verbose — be loud and noisy 📢
  • --verbose1 — be very loud and noisy 📢📢
  • -v, --verbose2 — be extremly loud and noisy 😭📢📢📢
  • --top arg — the atomistic topology file 🧬

mapping options (mapping era 🗺️)

  • --cg arg — coarse graining mapping and bond definitions (it's an xml-file, iykyk) 📄
  • --map-ignore arg — a list of molecules to ignore, separated by ; 🙈
  • --no-map — disable mapping and just act on the original trajectory, periodt ✋

special options (ooo special ✨)

  • --excl arg — write the atomistic exclusion list to a file 📝

trajectory options (the moving pictures 🎞️)

  • --trj arg — the atomistic trajectory file
  • --begin arg (=0) — skip frames before this time. heads up bestie, this only works for Gromacs files 💀
  • --first-frame arg (=0) — start with this frame
  • --nframes arg — process the given number of frames

👑 AUTHORS 👑

written and maintained by the VOTCA Development Team — hit them up at <devs@votca.org> 💌

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. 📜

and that's a wrap on the csg_boltzmann user manual, brought to you by the VOTCA Development Team 🫶 slay, go invert some boltzmanns, and remember: read your licenses 💜

📦 where this page comes from