{"id":42,"date":"2018-02-07T09:23:08","date_gmt":"2018-02-07T09:23:08","guid":{"rendered":"https:\/\/doublelayer.eu\/vilab\/?p=42"},"modified":"2018-02-07T09:23:08","modified_gmt":"2018-02-07T09:23:08","slug":"gromacs-topology-files-for-common-rtil-ions","status":"publish","type":"post","link":"https:\/\/doublelayer.eu\/vilab\/2018\/02\/07\/gromacs-topology-files-for-common-rtil-ions\/","title":{"rendered":"Gromacs topology files for common RTIL ions"},"content":{"rendered":"<p>Gromacs topology files for common RTIL ions are available at <a href=\"https:\/\/github.com\/olunet\/RTIL-FF\">https:\/\/github.com\/olunet\/RTIL-FF<\/a>. Most of them were written in 2012\u20132013 by Isabel Lage-Estebanez and Vladislav Ivani\u0161t\u0161ev, and tested in MD simulations of ionic liquid bulk. Some, like FEP-anion and B(CN)4-anion, were added recently and are not well tested. You are welcome to try and give the feedback at GitHub.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Gromacs topology files for common RTIL ions are available at https:\/\/github.com\/olunet\/RTIL-FF. Most of them were written in 2012\u20132013 by Isabel Lage-Estebanez and Vladislav Ivani\u0161t\u0161ev, and tested in MD simulations of ionic liquid bulk. Some, like FEP-anion and B(CN)4-anion, were added recently and are not well tested. You are welcome to try and give the feedback&hellip; <a class=\"read-more\" href=\"https:\/\/doublelayer.eu\/vilab\/2018\/02\/07\/gromacs-topology-files-for-common-rtil-ions\/\">Read More<\/a><\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[26,40],"tags":[37],"class_list":["post-42","post","type-post","status-publish","format-standard","hentry","category-collaborations","category-opensource","tag-friendship"],"_links":{"self":[{"href":"https:\/\/doublelayer.eu\/vilab\/wp-json\/wp\/v2\/posts\/42","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/doublelayer.eu\/vilab\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/doublelayer.eu\/vilab\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/doublelayer.eu\/vilab\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/doublelayer.eu\/vilab\/wp-json\/wp\/v2\/comments?post=42"}],"version-history":[{"count":3,"href":"https:\/\/doublelayer.eu\/vilab\/wp-json\/wp\/v2\/posts\/42\/revisions"}],"predecessor-version":[{"id":404,"href":"https:\/\/doublelayer.eu\/vilab\/wp-json\/wp\/v2\/posts\/42\/revisions\/404"}],"wp:attachment":[{"href":"https:\/\/doublelayer.eu\/vilab\/wp-json\/wp\/v2\/media?parent=42"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/doublelayer.eu\/vilab\/wp-json\/wp\/v2\/categories?post=42"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/doublelayer.eu\/vilab\/wp-json\/wp\/v2\/tags?post=42"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}