求助，如何启用gmx-MMPBSA

dzdhp

已按照官方流程安装好程序，过程也无任何报错，终端中输入gmx_MMPBSA -h也能看到官网所示信息
usage: gmx_MMPBSA [-h] [-v] [--input-file-help] [--create_input [{gb,pb,rism,ala,decomp,nmode,all}]
                  [-O] [-prefix <file prefix>] [-i FILE] [-xvvfile XVVFILE] [-o FILE] [-do FILE] [-eo FILE]
                  [-deo FILE] [-nogui] [-s] [-cs <Structure File>] [-ci <Index File>] [-cg index index]
                  [-ct [TRJ [TRJ ...]]] [-cp <Topology>] [-cr <PDB File>] [-rs <Structure File>] [-ri <Index File>]
                  [-rg index] [-rt [TRJ [TRJ ...]]] [-rp <Topology>] [-lm <Structure File>] [-ls <Structure File>]
                  [-li <Index File>] [-lg index] [-lt [TRJ [TRJ ...]]] [-lp <Topology>] [--rewrite-output] [--clean]

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gmx_MMPBSA is an effort to implement the GB/PB and others calculations in GROMACS.
Based on MMPBSA.py (version 16.0) and AmberTools20
但是关闭终端后重新打开再输入指令就提示commend not found，不知道是因为什么原因无法启用gmx_MMPBSA,求各位大佬指教

saccharide01

首先你得看看你是conda装的还是在Ambertools里装的，使用gmxMMPBSA前要激活环境和Ambertools