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Viktor Ovsiannikov
Nov 18, 2020, 9:29:21 AM11/18/20
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Hello,
I'm trying to optimize a protein molecule using amber FF, and the preparation task instantly dies with MPI_ABORT. Is there any way to fix it?
Viktor Ovsiannikov
Nov 18, 2020, 10:50:07 AM11/18/20
to NWChem Forum
Input, output, pdb and all generated files: https://drive.google.com/file/d/16i0f0aG3K5-HyEO3hkpTXN3tTBPDlbyt/view?usp=sharing
среда, 18 ноября 2020 г. в 17:29:21 UTC+3, Viktor Ovsiannikov:
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