On Thu, Mar 25, 2021, A. Bakheit wrote:
>CalcError: /home/abakheit/amber20_src/bin/sander failed with prmtop
>/mnt/c/nsp5/charmm13830/namd/complexed.prmtop!
>Exiting. All files have been retained.
You have to look at the mdout file for the sander run with the complex
prmtop to find clues about what went wrong.
[Scott: can we add a note to the error message asking users to look at the
output files that have been retained to try to find the origins of the
problem?]
...good luck....dac
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Received on Thu Mar 25 2021 - 06:00:02 PDT
