{"author_name":"Bockle","blog_title":"\u660e\u592a\u5b50\u30bd\u30fc\u30b9\u306b\u9bad\u30d5\u30ec\u30fc\u30af\u3092\u6dfb\u3048\u3066","provider_name":"Hatena Blog","published":"2014-12-19 17:59:37","url":"https://bockle.hateblo.jp/entry/2014/12/19/175937","blog_url":"https://bockle.hateblo.jp/","type":"rich","author_url":"https://blog.hatena.ne.jp/Bockle/","width":"100%","image_url":null,"categories":["Gromacs"],"version":"1.0","title":"GROMACS\uff1aprotein\u304c\u5165\u3063\u3066\u3044\u306a\u3044\u5834\u5408\u306eMD\u306e\u6ce8\u610f\u70b9","provider_url":"https://hatena.blog","height":"190","html":"<iframe src=\"https://hatenablog-parts.com/embed?url=https%3A%2F%2Fbockle.hateblo.jp%2Fentry%2F2014%2F12%2F19%2F175937\" title=\"GROMACS\uff1aprotein\u304c\u5165\u3063\u3066\u3044\u306a\u3044\u5834\u5408\u306eMD\u306e\u6ce8\u610f\u70b9 - \u660e\u592a\u5b50\u30bd\u30fc\u30b9\u306b\u9bad\u30d5\u30ec\u30fc\u30af\u3092\u6dfb\u3048\u3066\" class=\"embed-card embed-blogcard\" scrolling=\"no\" frameborder=\"0\" style=\"display: block; width: 100%; height: 190px; max-width: 500px; margin: 10px 0px;\"></iframe>","description":"pdb2gmx\u3067\u30bf\u30f3\u30d1\u30af\u8cea\u306epdb\u30d5\u30a1\u30a4\u30eb\u3092\u8aad\u307f\u8fbc\u3080\u3068\u3001\u51fa\u529b\u3055\u308c\u308btopol.top\u30d5\u30a1\u30a4\u30eb\u306e[ molecules ]\u306e\u9805\u76ee\u306b\u306f\u4ee5\u4e0b\u306e\u3088\u3046\u306b\u66f8\u304b\u308c\u307e\u3059\u3002 \uff08\u3053\u308c\u306fchain\u304c1\u3064\u306e\u5834\u5408\uff09 [ molecules ] ; Compound #mols Protein_chain_A 1 \u305d\u3057\u3066MD\u5b9f\u884c\u6642\u306emdp\u30d5\u30a1\u30a4\u30eb\u306etc-grps\u30d1\u30e9\u30e1\u30fc\u30bf\u306b\u306f\u4f8b\u3048\u3070\u4ee5\u4e0b\u306e\u3088\u3046\u306b\u66f8\u304d\u307e\u3059\u3002\uff08\u5168\u4e16\u754c\u306eGROMACS\u30e6\u30fc\u30b6\u30fc\u306e\u7b2c\u4e00\u95a2\u9580\u3067\u3042\u308b\uff08\u591a\u5206\uff09Lysozyme\u306eTutorial\u306e\u8a2d\u5b9a\u3002\uff09 tc-grps = Protein Non-Protein \u3067\u306f\u6eb6\u5a92\u306e\u307f\u306e\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u3001\u3064\u307e\u308a\u30bf\u30f3\u30d1\u30af\u8cea\u306e\u7121\u3044\u7cfb\u3092\u52d5\u2026"}