CSG_GMXTOPOL(1)

💖 CSG_GMXTOPOL 💖

okay bestie, welcome to the csg_gmxtopol user manual 💅 this is a General Commands Manual page and it's part of the VOTCA package, so grab a snack and let's get into it 🍓

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✨ NAME ✨

csg_gmxtopol — part of the VOTCA package 🫶

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🌸 SYNOPSIS 🌸

csg_gmxtopol [OPTIONS]

csg_gmxtopol [--help]

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🦋 DESCRIPTION 🦋

So what does this lil icon actually do? It creates a skeleton for a gromacs topology, based on an atomistic topology plus a mapping file ✨

bestie listen — the file it spits out is NOT done. You still have to go in and modify it yourself. It's a skeleton, not a finished fit 💀

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💅 OPTIONS 💅

These are the allowed options, periodt:

• -h [ --help ] — shows this help and dips out (exits) 👋
• --verbose — be loud and noisy 🗣️
• --verbose1 — be very loud and noisy 📣
• -v [ --verbose2 ] — be extremly loud and noisy 🔥 (yes, the manpage says "extremly", we don't touch the lore)
• --top arg — the atomistic topology file
• --out arg — output topology (it will create .top, and in the future also .itp)

🎀 Mapping options 🎀

• --cg arg — coarse graining mapping and bond definitions (an xml-file) 🧬
• --map-ignore arg — list of molecules to ignore, separated by ;
• --no-map — disable mapping and act on the original trajectory 🚫🗺️

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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.

no cap, read the license fr fr 📜

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that's the whole page bestie!! 🦋💖 this was the csg_gmxtopol user manual, brought to you by the VOTCA Development Team, and it's the CSG_GMXTOPOL(1) page — slay, go build some topologies, mwah 💅✨🎀