{"action":"created","issue":{"url":"https://api.github.com/repos/pandegroup/openmm/issues/2125","repository_url":"https://api.github.com/repos/pandegroup/openmm","labels_url":"https://api.github.com/repos/pandegroup/openmm/issues/2125/labels{/name}","comments_url":"https://api.github.com/repos/pandegroup/openmm/issues/2125/comments","events_url":"https://api.github.com/repos/pandegroup/openmm/issues/2125/events","html_url":"https://github.com/pandegroup/openmm/issues/2125","id":342884954,"node_id":"MDU6SXNzdWUzNDI4ODQ5NTQ=","number":2125,"title":"How to remove LJ interactions from NonbondedForce","user":{"login":"joegomes","id":3451565,"node_id":"MDQ6VXNlcjM0NTE1NjU=","avatar_url":"https://avatars3.githubusercontent.com/u/3451565?v=4","gravatar_id":"","url":"https://api.github.com/users/joegomes","html_url":"https://github.com/joegomes","followers_url":"https://api.github.com/users/joegomes/followers","following_url":"https://api.github.com/users/joegomes/following{/other_user}","gists_url":"https://api.github.com/users/joegomes/gists{/gist_id}","starred_url":"https://api.github.com/users/joegomes/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/joegomes/subscriptions","organizations_url":"https://api.github.com/users/joegomes/orgs","repos_url":"https://api.github.com/users/joegomes/repos","events_url":"https://api.github.com/users/joegomes/events{/privacy}","received_events_url":"https://api.github.com/users/joegomes/received_events","type":"User","site_admin":false},"labels":[],"state":"closed","locked":false,"assignee":null,"assignees":[],"milestone":null,"comments":2,"created_at":"2018-07-19T20:52:02Z","updated_at":"2018-07-19T21:35:07Z","closed_at":"2018-07-19T21:35:07Z","author_association":"NONE","body":"Hi,\r\n\r\nI'm using a CustomNonbondedForce to compute vdw interactions in my system. I would like to know if there is a way to keep the electrostatic NonbondedForce (in my case, PME) but remove the LJ interaction. Currently, I've modified the LJ parameters such that the interaction and force are always zero but I suspect I could speed up the simulations if LJ is gone entirely.\r\n\r\nThanks,\r\nJoe"},"comment":{"url":"https://api.github.com/repos/pandegroup/openmm/issues/comments/406421624","html_url":"https://github.com/pandegroup/openmm/issues/2125#issuecomment-406421624","issue_url":"https://api.github.com/repos/pandegroup/openmm/issues/2125","id":406421624,"node_id":"MDEyOklzc3VlQ29tbWVudDQwNjQyMTYyNA==","user":{"login":"joegomes","id":3451565,"node_id":"MDQ6VXNlcjM0NTE1NjU=","avatar_url":"https://avatars3.githubusercontent.com/u/3451565?v=4","gravatar_id":"","url":"https://api.github.com/users/joegomes","html_url":"https://github.com/joegomes","followers_url":"https://api.github.com/users/joegomes/followers","following_url":"https://api.github.com/users/joegomes/following{/other_user}","gists_url":"https://api.github.com/users/joegomes/gists{/gist_id}","starred_url":"https://api.github.com/users/joegomes/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/joegomes/subscriptions","organizations_url":"https://api.github.com/users/joegomes/orgs","repos_url":"https://api.github.com/users/joegomes/repos","events_url":"https://api.github.com/users/joegomes/events{/privacy}","received_events_url":"https://api.github.com/users/joegomes/received_events","type":"User","site_admin":false},"created_at":"2018-07-19T21:35:07Z","updated_at":"2018-07-19T21:35:07Z","author_association":"NONE","body":"I was setting epsilon to 0 to zero-out the interaction, but I guess I was also skipping the LJ calculation entirely. Thanks @Lnaden and @peastman!"}}
{"actor":{"display_login":"joegomes"}}