What it does

Antechamber parameter check reads in a mol2 file and writes out a force field modification (frcmod) file containing any force field parameters that are needed for the molecule but not supplied by the force field file. Problematic parameters, if any, are indicated in the frcmod file with the note, “ATTN, need revision”, and are typically given values of zero.

How it works

• Select a mol input file (mol2)
• Choose GAFF or GAFF2 parameter set

Outputs created

• Outputs a frcmod file as text

User guide and documentation

• AmberTools userguide

Feature requests

Go to Galaxy Computational Chemistry and make a feature request