cdpoon
cdpoon
I am interested in running Tinker9 with a bond in the molecule oriented along the Z axis of the box. Is it possible to do that? I have read the...
From Poltype2 documentation, it seems that it is capable of creating force field parameters to simulate neat liquid. If I understand it correctly, it is able to adjust charges and...
In June 2022, I was trying to compile Tinker9 with cc89 but failed. Zhi Wang said that nvc++ likely does not support minor cc release. By that time, I was...