{"id":1603,"date":"2025-01-27T12:44:47","date_gmt":"2025-01-27T03:44:47","guid":{"rendered":"https:\/\/www.mypresto5.jp\/en\/?p=1603"},"modified":"2025-01-27T12:45:04","modified_gmt":"2025-01-27T03:45:04","slug":"mypresto-portal-ver-1-1-103","status":"publish","type":"post","link":"https:\/\/www.mypresto5.jp\/en\/history\/mypresto-portal-ver-1-1-103\/","title":{"rendered":"myPresto Portal ver.1.1.103 released"},"content":{"rendered":"\n<p><strong>Functional additions<\/strong><\/p>\n<ul>\n<li>In the force field setting of MD calculation in the [Preference] &#8211; [6.Molecule screen], the default setting of the force field were changed as follows.<br>\n    AMBER ff99SB -> FF_set* (ff99_SB_ILDN_aa, RNA_OL3, DNA_OL15)<br>\n    TIP3P -> OPC3<\/li>\n<li>The default setting of MD calculation by GROMACS for membrane systems was changed to the following.<br>\n    Time step(fsec) 2.0 -> 1.0<br>\n    Pressure (bar) 1.0 -> 10.0<br>\n    constraints (LINCS) : h-bonds -> none<\/li>\n<li>In the MD calculation dialog of GROMACS, LINCS constraints can be set by the user.<\/li>\n<li>The 3D screen is automatically RESET after the MD calculation of GROMACS.<\/li>\n<\/ul>\n","protected":false},"excerpt":{"rendered":"<p>Functional additions In the force field setting of MD calculation in the [Preference] &#8211; [6.Molecule screen], the default setting of the force field were changed as follows. AMBER ff99SB -> FF_set* (ff99_SB_ILDN_aa, RNA_OL3, DNA_OL15) TIP3P -> OPC3 The default setting of MD calculation by GROMACS for membrane systems was changed to the following. Time step(fsec) 2.0 -> 1.0 Pressure (bar) 1.0 -> 10.0 constraints (LINCS) : h-bonds -> none In the MD calculation dialog of GROMACS, LINCS constraints can be set by the user. The 3D screen is automatically RESET after the MD calculation of GROMACS.<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[3,2],"tags":[],"_links":{"self":[{"href":"https:\/\/www.mypresto5.jp\/en\/wp-json\/wp\/v2\/posts\/1603"}],"collection":[{"href":"https:\/\/www.mypresto5.jp\/en\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.mypresto5.jp\/en\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.mypresto5.jp\/en\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.mypresto5.jp\/en\/wp-json\/wp\/v2\/comments?post=1603"}],"version-history":[{"count":1,"href":"https:\/\/www.mypresto5.jp\/en\/wp-json\/wp\/v2\/posts\/1603\/revisions"}],"predecessor-version":[{"id":1604,"href":"https:\/\/www.mypresto5.jp\/en\/wp-json\/wp\/v2\/posts\/1603\/revisions\/1604"}],"wp:attachment":[{"href":"https:\/\/www.mypresto5.jp\/en\/wp-json\/wp\/v2\/media?parent=1603"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.mypresto5.jp\/en\/wp-json\/wp\/v2\/categories?post=1603"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.mypresto5.jp\/en\/wp-json\/wp\/v2\/tags?post=1603"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}