Issue Installing gmx_MMPBSA

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Isaac Silverman

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Jun 19, 2023, 1:23:35 PM6/19/23
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Hi,

I am trying to download gmx_MMPBSA but although the terminal shows that it is downloaded, the command line does not work.

I activate MMPBSA by entering:
conda activate gmxMMPBSA

However, when I try to eneter the following command line:
gmx_MMPBSA -O -i mmpbsa.in -cs md_0_10.tpr -ci index.ndx -cg 20 21 -ct md_0_10_fit.xtc -cp topol.top

I receive this:
gmx_MMPBSA: command not found

Here is the entire series of what I input
(base) bioinformatics@BioResearch:~$ conda activate gmxMMPBSA

(gmxMMPBSA) bioinformatics@BioResearch:~$ gmx_MMPBSA -O -i mmpbsa.in -cs md_0_10.tpr -ci index.ndx -cg 20 21 -ct md_0_10_fit.xtc -cp topol.top
gmx_MMPBSA: command not found

Is there something I did not do in the installation that is causing this?

I appreciate any help in advance.

Mario Sergio Valdes

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Jun 19, 2023, 1:25:05 PM6/19/23
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Please, show me the terminal output of 
conda list

Isaac Silverman

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Jun 25, 2023, 3:28:41 PM6/25/23
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I have been able to resolve the issue. Thank you though.
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