从GROMACS轨迹到结合自由能:为什么你需要gmx_MMPBSA?
从GROMACS轨迹到结合自由能:为什么你需要gmx_MMPBSA? 【免费下载链接】gmx_MMPBSA gmx_MMPBSA is a new tool based on AMBERs MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files. 项目地址: https://gitcode.com/g…
2026/7/25 17:20:22