CSG_TRAJ_FORCE(1)

📦
version 2025.1 · 2 versions
, in debian trixie, ubuntu questing, ubuntu resolute

💖 CSG_TRAJ_FORCE 💖

okay so bestie, welcome to the manual for csg_traj_force, straight out of the General Commands Manual (section 1, the commands section, we love her). She's part of the VOTCA package, she's a whole queen, and she's about to make your forces make sense. let's go 💅

✨ NAME ✨

csg_traj_force — Part of the VOTCA package

like, that's the whole name section, it's giving minimalist icon behavior, we respect it 🫶

🦋 SYNOPSIS 🦋

csg_traj_force [OPTIONS]

csg_traj_force [--help]

two moods: do the thing with options or do nothing and read the help. both valid ✨

🌸 DESCRIPTION 🌸

Adds/subtracts forces from given atomistic trajectories.

that's it. that's the whole job. she takes forces from one trajectory, and she adds them to (or subtracts them from, the choice is yours bestie) another one. no cap, that's the vibe. 🔥

💜 OPTIONS 💜

🎀 Allowed options 🎀

  • -h, --help — display this help and exit. the classic. the "wait what does this do again" button, no shame in it 💅
  • --verbose — be loud and noisy
  • --verbose1 — be very loud and noisy
  • --verbose2, -v — be extremly loud and noisy (yes, that's exactly how the original spells it, we do not fix the spelling, we simply report it 🙈). this is the maximum yapping setting, she's gonna tell you EVERYTHING.
  • --top arg — atomistic topology file. your structure file, your blueprint, your main character document 👑
  • --scale arg — scaling factor for trajectory forces. default is -1. so by default she flips the sign, which means "add" and "subtract" are literally a scale factor apart. iconic behavior honestly 🦋
  • --trj-force arg — atomistic reference trajectory containing forces to add/subtract. this is the trajectory whose forces you're pulling in. 🍓
  • --out arg — output trajectory file with resultant forces. where the finished product goes. your little baby file. 🥺

🧚 Trajectory options 🧚

  • --trj arg — atomistic trajectory file. the one you're operating on. ✨
  • --begin arg — skip frames before this time. default is 0. heads up bestie: only works for Gromacs files 💀
  • --first-frame arg — start with this frame. default is 0. if you don't want to start at the very beginning, this is your girl. 🌈
  • --nframes arg — process the given number of frames. tell her how many frames you want and she'll stop when she gets there, periodt. ⭐

👑 AUTHORS 👑

Written and maintained by the VOTCA Development Team <devs@votca.org>

they made her, they keep her alive, we say thank you 🫶

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.

ok so real talk: that last bit is legal-speak and it's basically saying no promises, read the actual license for the full story. don't skip it, bestie, it's not decorative. 💀

🌸 and that's the whole page!! brought to you by the VOTCA Development Team and the csg_traj_force User Manual, we've been serving section 1 realness this entire time, mwah 💅✨💖

📦 where this page comes from