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
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