Chengwen Liu

icon indicating an email [email protected]

icon company University of Texas icon location Austin icon location Developing AMOEBA+ model for Biomolecular Simulations

Results 2 issues of Chengwen Liu

add AMOEBA water22 parameters

In this PR we add AMOEBA water22 parameters to the Tinker params directory.

Charge transfer energy does not agree between two versions of code

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Hi @zhi-wang , I noted that my dynamic9 jobs failed with `ele-lambda` being 0 with the code of Feb 9. Error message is `Induced dipole not converged`. I compared a...