Lei Qian

[Question]: unknown error when installing gmx_MMPBSA

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### My Question is... Dear users, I tried to install gmx_MMPBSA using conda/pip in Centos (shell: zsh). After using command "$ screen" and then in screen I ran "$ conda...

[Bug-gmx_MMPBSA]: Bug in gmx_MMPBSA: Alanine scanning

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### Bug summary Tried to use gmx_MMPBSA: Alanine scanning function to mutate a residue (on the interface of two proteins) to Alanine. But it could not work. ### Terminal output...