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Kindly guide me how can I rectify the following error I'm getting
The number of atoms in the topology (10096) and the complex structure (1884) are different. Please check these files and verify that they are correct. Otherwise report the error...
Mario Sergio Valdes
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May 29, 2023, 9:42:42 AM5/29/23
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Probably, you are selecting the wrong groups in the index files... Please, attach the gmx_MMPBSA.log file
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Tanmayee Basu
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May 30, 2023, 12:39:28 AM5/30/23
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Thank you for your suggestion.
After I chose the correct groups in the index file I got the following error: