Date: Tue, 27 Feb 2024 16:09:36 +0000
Hello,
We have been running a large number of ligands through amber recently and have encountered a few instances that have generated prmtop with large values in the ATOMIC_NUMBER block in the prmtop file as shown below. These cause errors with mdanalysis and loading into VMD.
[F2kRSxtgHYx9EDox9qEL78D9AZ4dtdG4ghQAAAABJRU5ErkJggg==]
We are using the latest release of ambertools.
Thanks,
Trevor and Levi
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(image/png attachment: image001.png)
- application/octet-stream attachment: example.prmtop
