George Barnes
George Barnes
Thanks for the heads up and enjoy your vacation! I start my new position at Illinois State University on Aug 1, so I may be a bit slow to respond...
Please let me know if I can assist.
Sorry about the confusion on who would take the lead - this is my first PR and contribution to an open-source project. We both have had a lot going on!...
If GEO-OK is not included, calculations are halted if two atoms are closer than 0.1 Ang. For high-energy collision systems, this can occur and would disrupt a direct dynamics simulation....