{"id":192,"date":"2013-04-08T16:52:01","date_gmt":"2013-04-08T22:52:01","guid":{"rendered":""},"modified":"2013-04-08T16:58:58","modified_gmt":"2013-04-08T07:58:58","slug":"m2\u30bf\u30f3\u30d1\u30af\u8cea\u306e\u69cb\u9020\u6700\u9069\u5316","status":"publish","type":"post","link":"https:\/\/www.cenav.org\/kdb\/?p=192","title":{"rendered":"M2\u30bf\u30f3\u30d1\u30af\u8cea\u306e\u69cb\u9020\u6700\u9069\u5316"},"content":{"rendered":"<h3 id=\"kdb_body\">\u6982\u8981<\/h3>\n<p>\u69cb\u9020\u3092\u52d5\u304b\u3057\u3066\u306e\u91cf\u5b50\u5316\u5b66\u8a08\u7b97\u306e\u691c\u8a3c\u4f8b<\/p>\n<p><img alt=\"\" src=\"\/kdb\/out\/i192_1.png\" \/><\/p>\n<h3 id=\"kdb_field_related_modules\">\u95a2\u9023\u30e2\u30b8\u30e5\u30fc\u30eb<\/h3>\n<p>ProteinMD<\/p>\n<h3 id=\"kdb_field_sim_model\">\u89e3\u6790\u30e2\u30c7\u30eb<\/h3>\n<p>M2\u30bf\u30f3\u30d1\u30af\u8cea<\/p>\n<h3 id=\"kdb_field_calc_condition\">\u8a08\u7b97\u6761\u4ef6<\/h3>\n<p>\u30fbB3LYP<\/p>\n<p>\u30fb\u69cb\u9020\u6700\u9069\u5316<\/p>\n<h3 id=\"kdb_field_exe_env\">\u5b9f\u884c\u74b0\u5883<\/h3>\n<p>CPU:<\/p>\n<p>GPU:<\/p>\n<p>Memory:<\/p>\n<p>HDD:<\/p>\n<h3 id=\"kdb_field_description_simu_case\">\u8a73\u7d30\u8aac\u660e<\/h3>\n<p>M2\u30bf\u30f3\u30d1\u30af\u8cea\u306e\u69cb\u9020(\u4e0a)\u3068\u30de\u30a4\u30af\u30edSCF\u53ce\u675f\u904e\u7a0b(\u4e0b)<\/p>\n<p>\u300c\u30de\u30a4\u30af\u30edSCF\u3000&rarr;\u3000\u529b\u8a08\u7b97\u3000&rarr;\u3000\u69cb\u9020\u3092\u30a2\u30c3\u30d7\u30c7\u30fc\u30c8\u300d\u306e\u30eb\u30fc\u30d7\u3092\u7e70\u308a\u8fd4\u3057\u3001\u69cb\u9020\u6700\u9069\u5316\u3084MD\u3092\u884c\u3046\u3002<\/p>\n<p><img loading=\"lazy\" height=\"575\" src=\"http:\/\/satolab.iis.u-tokyo.ac.jp\/wiki\/lib\/exe\/fetch.php?cache=&amp;media=%E4%BD%90%E8%97%A4%E7%A0%94:%E9%80%B2%E6%8D%97%E4%BC%9A%E8%AD%B0%E8%B3%87%E6%96%99:2013%E5%B9%B4%E5%BA%A6:2013%E5%B9%B404%E6%9C%8808%E6%97%A5:ip.png\" width=\"770\" \/><\/p>\n<p><img loading=\"lazy\" height=\"575\" src=\"http:\/\/satolab.iis.u-tokyo.ac.jp\/wiki\/lib\/exe\/fetch.php?cache=&amp;media=%E4%BD%90%E8%97%A4%E7%A0%94:%E9%80%B2%E6%8D%97%E4%BC%9A%E8%AD%B0%E8%B3%87%E6%96%99:2013%E5%B9%B4%E5%BA%A6:2013%E5%B9%B404%E6%9C%8808%E6%97%A5:%E5%B9%B3%E9%87%8E:eigvals_hist_m2ip.png\" width=\"767\" \/><\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u6982\u8981 \u69cb\u9020\u3092\u52d5\u304b\u3057\u3066\u306e\u91cf\u5b50\u5316\u5b66\u8a08\u7b97\u306e\u691c\u8a3c\u4f8b \u95a2\u9023\u30e2\u30b8\u30e5\u30fc\u30eb ProteinMD \u89e3\u6790\u30e2\u30c7\u30eb M2\u30bf\u30f3\u30d1\u30af\u8cea \u8a08\u7b97\u6761\u4ef6 \u30fbB3LYP \u30fb\u69cb\u9020\u6700\u9069\u5316 \u5b9f\u884c\u74b0\u5883 CPU: GPU: Memory: HDD: \u8a73\u7d30\u8aac\u660e M2\u30bf\u30f3 [<a title=\"\u4f1a\u54e1\u767b\u9332\u304c\u5fc5\u8981\u3067\u3059\" href=\"https:\/\/www.cenav.org\/kdb\/?p=192\">\u5168\u6587\u3092\u8aad\u3080<\/a>]<\/p>\n","protected":false},"author":46,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[162,54],"tags":[],"_links":{"self":[{"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=\/wp\/v2\/posts\/192"}],"collection":[{"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=\/wp\/v2\/users\/46"}],"replies":[{"embeddable":true,"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=192"}],"version-history":[{"count":0,"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=\/wp\/v2\/posts\/192\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=192"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=192"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.cenav.org\/kdb\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=192"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}