There is a problem with creating list of non-bonded pairs with the linked cell algorithm in combinatin with periodic boundaries. So I now deactivated the linked cell algorithm in the template tinker::refine::refined::build_pairs_direct() in the file "tinker_refine.cc" for periodic boundaries. Everything should work.
[issue copied from old repository, issue #64]
There is a problem with creating list of non-bonded pairs with the linked cell algorithm in combinatin with periodic boundaries. So I now deactivated the linked cell algorithm in the template tinker::refine::refined::build_pairs_direct() in the file "tinker_refine.cc" for periodic boundaries. Everything should work.
[issue copied from old repository, issue #64]