{"id":93,"date":"2017-03-20T14:22:09","date_gmt":"2017-03-20T13:22:09","guid":{"rendered":"https:\/\/fhedin.com\/?page_id=93"},"modified":"2017-10-25T01:48:31","modified_gmt":"2017-10-24T23:48:31","slug":"contributions-to-charmm","status":"publish","type":"page","link":"https:\/\/fhedin.com\/?page_id=93","title":{"rendered":"Contributions to CHARMM"},"content":{"rendered":"<p>During my PhD thesis I implemented the <a href=\"https:\/\/fhedin.com\/?page_id=75\">SA-MC<\/a> and PINS algorithms into CHARMM, they are included by default in public releases, documentation can be accessed through the following links :<\/p>\n<p><a href=\"https:\/\/www.charmm.org\/charmm\/documentation\/by-version\/c41b1\/params\/doc\/mc\/#SA-MCsimulations\" target=\"_blank\" rel=\"noopener\">SA-MC within the MC module<\/a> (starting from c39b1)<\/p>\n<p><a href=\"https:\/\/www.charmm.org\/charmm\/documentation\/by-version\/c42b1\/params\/doc\/ensemble\/\" target=\"_blank\" rel=\"noopener\">PINS within the ENSEMBLE module<\/a> (starting from c42b1)<\/p>\n<p>Although CHARMM is not open source, it is possible to obtain a free of charge version for acedemic users <a href=\"https:\/\/www.charmm.org\/charmm\/program\/obtaining-charmm\/\" target=\"_blank\" rel=\"noopener\">here<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"<p>During my PhD thesis I implemented the SA-MC and PINS algorithms into CHARMM, they are included by default in public releases, documentation can be accessed through the following links : SA-MC within the MC module (starting from c39b1) PINS within the ENSEMBLE module (starting from c42b1) Although CHARMM is not open source, it is possible &#8230;<\/p>\n","protected":false},"author":1,"featured_media":0,"parent":10,"menu_order":1,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-93","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/fhedin.com\/index.php?rest_route=\/wp\/v2\/pages\/93","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/fhedin.com\/index.php?rest_route=\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/fhedin.com\/index.php?rest_route=\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/fhedin.com\/index.php?rest_route=\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/fhedin.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=93"}],"version-history":[{"count":3,"href":"https:\/\/fhedin.com\/index.php?rest_route=\/wp\/v2\/pages\/93\/revisions"}],"predecessor-version":[{"id":194,"href":"https:\/\/fhedin.com\/index.php?rest_route=\/wp\/v2\/pages\/93\/revisions\/194"}],"up":[{"embeddable":true,"href":"https:\/\/fhedin.com\/index.php?rest_route=\/wp\/v2\/pages\/10"}],"wp:attachment":[{"href":"https:\/\/fhedin.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=93"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}