Galaxy |

Grompp (version 0.1.5)

Structure file:

Select your input GROMACS structure file. Format: [input].gro

Topology file:

Select your input GROMACS topology TOP and ITP file. Format: [input].zip

Check point file:

Select your input GROMACS checkpoint file. Format: [input].cpt

Output TPR name:

Name for the Output binary run file. Format: [output].tpr

Take tool settings::

Select where tool settings are to be read from

Check the syntax for setting the tool parameters at the original library documentation: https://biobb-md.readthedocs.io/en/latest/gromacs.html#module-gromacs.grompp

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