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Repository revision

Revision: 6:ca6a4740114e

Repository 'gmx_restraints'

Clone this repository: hg clone https://toolshed.g2.bx.psu.edu/repos/chemteam/gmx_restraints

Create GROMACS position restraints files tool metadata

Miscellaneous

Name: Create GROMACS position restraints files

Description: using genrestr

Id: gmx_restraints

Guid: toolshed.g2.bx.psu.edu/repos/chemteam/gmx_restraints/gmx_restraints/2020.2+galaxy0

Version: 2020.2+galaxy0

Version command string: None

Display in tool panel: True

Version lineage of this tool (guids ordered most recent to oldest)

toolshed.g2.bx.psu.edu/repos/chemteam/gmx_restraints/gmx_restraints/2020.4+galaxy0

toolshed.g2.bx.psu.edu/repos/chemteam/gmx_restraints/gmx_restraints/2020.2+galaxy0 (this tool)

toolshed.g2.bx.psu.edu/repos/chemteam/gmx_restraints/gmx_restraints/2019.1.5

toolshed.g2.bx.psu.edu/repos/chemteam/gmx_restraints/gmx_restraints/2019.1.4

toolshed.g2.bx.psu.edu/repos/chemteam/gmx_restraints/gmx_restraints/2019.1.3

gmx_restraints

Requirements (dependencies defined in the <requirements> tag set)

Requirements:

name

version

type

gromacs

2020.2

package

Functional tests

name

inputs

outputs

required files

Test-1

index: 13
gro_input: str_ions.gro
fc: 500 600 700
ndx_input: index.ndx

attributes: name

str_ions.gro
index.ndx
name