求助amber.python: command not found

charmm36 · 发表于 Post on 2023-2-3 10:02:33

各位老师和前辈，本人初次接触Amber，在Ubuntu 18.04系统中利用conda安装了AmberTools22 (产生的文件有1.2G，文件目录见下面的截图)，但在AmberTools22 虚拟环境中，执行amber.python的命令，提示amber.pyhon: command not found，多方查资料，未找到答案，特来求助，还望指教！谢谢！

rpestana94 · 发表于 Post on 2023-2-3 16:43:45

Why you need that command? is for what?

charmm36 · 发表于 Post on 2023-2-3 23:02:08

rpestana94 发表于 2023-2-3 16:43
Why you need that command? is for what?

That command (amber.python) is used for installing uodated ParmEd and gmx_MMPBSA, with the latter being a new tool to perform end-state free energy calculation. See details by this website: https://valdes-tresanco-ms.github.io/gmx_MMPBSA/dev/installation/.

rpestana94 · 发表于 Post on 2023-2-4 00:07:09

and using in a conda environment give you errors? you should check this discussion https://groups.google.com/g/gmx_mmpbsa/c/wLll2_ueTIw

charmm36 · 发表于 Post on 2023-2-4 09:59:57

rpestana94 发表于 2023-2-4 00:07
and using in a conda environment give you errors? you should check this discussion https://groups.go ...

Thank you for your kind suggestion! Unfortunately, I failed to access the website provided by you.

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[Amber] 求助amber.python: command not found

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