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Emma Lee
Jan 29, 2023, 1:54:10 PM1/29/23
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Hi all,
I'm brand new to NWChem and am trying to use it for QM/MM molecular dynamics for biomolecules. Is the newest version supported for Red Hat 8.3? I can only see instructions for 6 and 7 and was having trouble compiling on my lab's HPCC. Any help would be greatly appreciated, and thanks so much in advance!
Best,
Emma Lee
Edoardo Aprà
Jan 30, 2023, 7:40:23 PM1/30/23
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Can you use containers (e.g. shifter, singularity, docker) on your lab's computing hardware?
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