MMPBSA——index error: list index out of range #444
Replies: 4 comments 6 replies
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This is my Topol files |
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Please, check that any defined groups don't contain ions |
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Yes, my topol files and xtc files don't contain ions, I use the CHARMM fileds. |
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Please, send me your files to check them |
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Desktop.zip |
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And I use GROMACS 2018.8 , CHARMM fields 2019, gmx_MMPBSA 1.3.3 |
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gmx_MMPBSA 1.3.3? This version is old, so it is not maintained anymore. Please, try the latest version |
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It may be some problems of our machine.
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We installed the software not long ago. The dependent sofware installed are not old. But it is weird the gmxMMPBSA version is so old. |
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I also have a question. I have been successfully submitted the task a month ago. I checked the decomposition files and found the non- polar items are zero. Is it correct? 
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Hi，I want to calculate the binding free energy of the membrane protein . But I cannot submit the task successfully.
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