/tools/gmx_ffconv

gmx_ffconv

Jassu1998/gmx_ffconv

14 stars3 forksPythonAdded February 5, 2026
summary

gmx_ffconv is a semi-automated force field converter for GROMACS that allows users to convert molecular systems between different all-atom force fields. It requires topology files for the molecules and facilitates the conversion process without needing extensive programming knowledge.

description

A semi-automated force field converter for GROMACS. Enables users to easily convert a system between two all-atom force fields. Requires .itp's for each molecule type and a coordinate file for the entire system.

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