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Tinker9 giving INDUCED dipoles not converged even when Tinker8 works fine #252

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ronnie247 opened this issue Jun 7, 2024 · 0 comments

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@ronnie247
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I'm using Tinker 9 to run some AMOEBA simulations. The problem I am running into is that I get Induced Dipoles not converged for the input file, when Tinker8 runs the md fine without any issues. I tried changing different integrators/thermostats/barostats as well as the polarization state none/direct/mutual, and it all gives the same error. I have attached my xyz, key and prm files as md files here, since the file formats weren't supported.

key_file.md
prm_file.md
xyz_file.md

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