g_mmpbsa analysis error

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tanver hasan

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Feb 3, 2024, 9:28:23 AMFeb 3
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I am trying to perform g_mmpbsa analysis for my protein-ligand complex. My gromacs version is 5.0.1 . I followed a tutorial from Github provided by rashmikumari (1EBZ tutorial) . 


After providing following command 


g_mmpbsa -f 1EBZ.xtc -s 1EBZ.tpr -n 1EBZ.ndx -i ../pbsa.mdp -pdie 2 -pbsa -decomp   



I encountered this error 


Program g_mmpbsa, VERSION 5.0.1 Source code file: /home/bme/g_mmpbsa-1.7.1/src/GMX50/extrn_apbs.c, line: 156 Fatal error: Failed to execute command: $APBS pav7MAcA.in --output-file=pav7MAc.out For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors

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