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This is a modified version of GROMACS 5.0.6 which has been modified to include a capsule shaped confinement.

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GROMACS 5.0.6 with sphero-cylindrical confinement

Link for downloading: https://drive.google.com/file/d/1mfEZnRTf0r9YTLqFP37IjdORIr0wlw-p/view?usp=sharing

Documentation

This is a modified version of GROMACS 5.0.6 which has been modified to include a capsule shaped confinement.
The flat bottom position restraint has been tweaked to include the shape.

usage

[ position_restraints ]
<id> <type> <shape> <radius> <force constant> <length> <centre x> <centre y> <centre z>
** the length is the length of the cylinderical part only (excluding end caps)

Example:
1 2 6 6.157 310.000 32.400 6.157 6.157 22.357

Please refer to GROMACS manual for details on the syntax for flat bottomed position restraints.
https://manual.gromacs.org/current/reference-manual/functions/restraints.html

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This is a modified version of GROMACS 5.0.6 which has been modified to include a capsule shaped confinement.

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