Comments (3)
mayank-kohli
commented on August 15, 2024
Either it is showing the above error or It is getting stuck while adding the ions as shown in the image below.
The examples are running without any error, but when I am using my protein and ligand complex its getting stuck.
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andrrizzi
commented on August 15, 2024
Hi @mayank-kohli . It looks like your input file don't agree well with AMBER's Leap preparation program. I'd suggest to take a look at the Leap log file (which should be in the setup/ folder of your system for a more specific look about what is going on.
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mayank-kohli
commented on August 15, 2024
Log file also have the same data.
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