error while running gmx_MMPBSA

[Shilpi Chowdhury]

Hi,

I encounter a problem as below;

The atom 8467 in the complex index is not found in the topology file. Please check that the files are consistent.

I attach some required files for your reference.  Thank you for your help!

[gmx_MMPBSA]

This issue is usually related to the topology or the wrong groups/configuration in the index file. I will suggest starting with a brand new index file built from the input structure you are using to perform the gmx_MMPBSA calculation. If this doesn't work, feel free to send us the files you are using to check what's wrong 

[Shilpi Chowdhury]

Okay 

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