csg_gmxtopol1
Part of the votca package
Usage
csg_gmxtopol [OPTIONS]
csg_gmxtopol [--help]
Overview
Create skeleton for gromacs topology based on atomistic topology and a mapping file. File still needs to be modified by the user.
Options
Allowed options:
-h [ --help ] display this help and exit
--verbose be loud and noisy
--verbose1 be very loud and noisy
-v [ --verbose2 ] be extremly loud and noisy
--top arg atomistic topology file
--out arg output topology (will create .top and in future also
.itp)
Mapping options:
--cg arg coarse graining mapping and bond definitions
(xml-file)
--map-ignore arg list of molecules to ignore separated by ;
--no-map disable mapping and act on original trajectory
History
- Debian 13 (Trixie): the text shown here
- Debian 12 (Bookworm)
- Debian 11 (Bullseye)
- Debian 10 (Buster)
- Debian 9 (Stretch)
- Debian 8 (Jessie)
--cg until Debian 11 (Bullseye);
--help until Debian 11 (Bullseye);
--map-ignore until Debian 11 (Bullseye);
--no-map until Debian 11 (Bullseye);
--out until Debian 11 (Bullseye);
--top until Debian 11 (Bullseye);
--verbose until Debian 11 (Bullseye);
--verbose1 until Debian 11 (Bullseye);
--verbose2 until Debian 11 (Bullseye);
-h until Debian 11 (Bullseye);
-v until Debian 11 (Bullseye).