Hi everyone
I have been running a MD of a protein-ligand complex with AMBER 18 the las three months, but now I tried the same MD with the same scripts in AMBER 23 and the results are different; the MD that I have runned in AMBER 18 provides a -19 kcal/mol result and the MD I run in AMBER 23 provides a -31 kcal/mol result.
What should I do? What are the real results?
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Received on Fri Sep 22 2023 - 02:30:02 PDT
