The error message is stating that your .trr file only has 390 atoms in it, where as the .tpr file has 20524. Those need to match.
Where you have made the error, tried to see it, but with all the full paths in your command lines makes it difficult to see what the actually commands are. Look at the step where you generated those two files, that is likely to be where the issue is. Catch ya, Dr. Dallas Warren Medicinal Chemistry and Drug Action Monash Institute of Pharmaceutical Sciences, Monash University 381 Royal Parade, Parkville VIC 3010 dallas.war...@monash.edu +61 3 9903 9304 --------------------------------- When the only tool you own is a hammer, every problem begins to resemble a nail.
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