Dear All,
I am trying to do MMGB(PB)SA calculations using AmberTools. While doing
it, I have created ligand-only, receptor-only, and complex-vacuum.
prmtop files. When I am trying to run the calculations, for NMA, it's
showing a non-ending stream of line minimizer abort error. Is this just
a warning or a fatal error? What should I do to get rid of this error,
or just wait till the final output is obtained? Will the error affect
the calculations? What does this error mean?
Thank you
Regards
Priyasha
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Received on Fri Aug 01 2025 - 11:00:02 PDT
