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I am attempting to run a simulation with a force field that uses both higher-order electrostatic multipoles and includes polarizability via drude oscillators. The following files give an example of su…
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[9_8_Index_0-peditin.txt](https://github.com/TinkerTools/tinker/files/5525290/9_8_Index_0-peditin.txt)
[9_8_Index_0.sdf.txt](https://github.com/TinkerTools/tinker/files/5525291/9_8_Index_0.sdf.txt)…
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## Request feature
Allow to compute the multipole matrices for unrestricted calculations
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```
Implement incident field as a radiation of a point dipole. This is interesting
from a fundamental viewpoint, but may also have certain practical implications
(e.g. amplification of molecular, po…
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Hello,
I see you guys updated ion parameters in amoeba09.prm but original paper title for parameters says "P. Ren and J. W. Ponder, "Polarizable Atomic Multipole Intermolecular
Potentials for Smal…
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Hello Faunus team,
I am getting error after $make install
CMake Error at CMakeLists.txt:6 (find_package):
Could not find a package configuration file provided by "SDL2" with any of
the fo…
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When I tried to test wmp library of endf/b-viii.0 based on vera 2e case, the weird results were found here:
![test_wmp-8 0](https://user-images.githubusercontent.com/2571415/96902179-31377280-1462-11…
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1. Poltype frame definition is not "robust", for example, it defines "**N on Methylamine as Z-bisec**" but "**N on Ethylamine is Z-only**", where Z-bisec should be better (same as Methylamine)
2. …
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I've encountered some issues with the parameters of uAMOEBA water published in Qi et al., 2015. J. Chem. Phys., 143, 014504. Since this model is not implemented into Tinker 8.7 by default (that's the …
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In multipole.py (lines of interest shown below), when reading from the .keyb file, I ran into a case where `tmplst` only had 3 elements, so the variable `atmidx` was not set properly. This caused an e…