#1016952 ITP: gmx-mmpbsa -- end-state free energy calculations with GROMACS files

Package:
wnpp
Source:
wnpp
Submitter:
Andrius Merkys
Date:
2025-11-29 16:51:26 UTC
Severity:
normal
#1016952#5
Date:
2022-08-10 12:58:36 UTC
From:
To:
* Package name    : gmx-mmpbsa
  Version         : 1.5.6+ds
  Upstream Author : Mario S. Valdes-Tresanco and
                    Mario E. Valdes-Tresanco
* URL             : https://valdes-tresanco-ms.github.io/gmx_MMPBSA/dev/
* License         : GPL-3.0
  Programming Lang: Python 3
  Description     : end-state free energy calculations with GROMACS files

gmx_MMPBSA is a tool based on AMBER's MMPBSA.py aiming to perform
end-state free energy calculations with GROMACS files.

Remark: This package is to be maintained with Debichem Team at
https://salsa.debian.org/debichem-team/gmx-mmpbsa