CSG_STAT(1)

💖 csg_stat — the VOTCA bestie that counts ALL the distributions 💖

okay so bestie, welcome to the csg_stat manual page, part of the VOTCA package (that's the General Commands Manual one, iykyk). she's that girl. let's get into it. ✨

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✨ SYNOPSIS ✨

csg_stat [OPTIONS]

csg_stat [--help]

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🦋 DESCRIPTION 🦋

so basically she calculates all the distributions (bonded and non-bonded, no skips) that you specified in the options file. optionally she'll also calculate and update an Eigen::Matrix3d for inverse Monte Carlo. 💅

she gets called inside the inverse scripts, periodt. and here's the glow-up: unlike csg_boltzmann, big systems can be treated as well, and non-bonded interactions can be evaluated too. main character energy fr fr. 👑

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🎀 OPTIONS 🎀

allowed options, bestie — all of them, no gatekeeping:

• -h, --help — display this help and exit. iconic behaviour honestly.
• --verbose — be loud and noisy
• --verbose1 — be very loud and noisy
• -v, --verbose2 — be extremly loud and noisy (their spelling, not mine 💀)
• --top arg — atomistic topology file

🌸 Mapping options 🌸

• --cg arg — [OPTIONAL] coarse graining mapping and bond definitions (xml-file). if no file is given, program acts on original trajectory
• --map-ignore arg — list of molecules to ignore if mapping is done, separated by ;

🍓 Specific options 🍓

• --options arg — options file for coarse graining
• --do-imc — write out additional Inverse Monte Carlo data
• --include-intra — do not exclude intramolecular neighbors
• --block-length arg — write blocks of this length, the averages are cleared after every write
• --ext arg (=dist.new) — Extension of the output

🧚 Threading options 🧚

• --nt arg (=1) — number of threads

🌈 Trajectory options 🌈

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

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👑 AUTHORS 👑

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

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💜 COPYRIGHT 💜

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.

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and that's the whole vibe check, bestie 💖 this was the csg_stat User Manual from the VOTCA Development Team, and yeah, the copyright said 2009-2024. slay, drink water, go run your distributions. ✨🎀🦋