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6Â¥: Originally posted by zh1987hs at 2012-05-31 20:26:06
ÄãµÄµ°°×ÊǺÍС·Ö×ÓÒ»ÆðÅܵÄÂð£¿Èç¹ûÓÐС·Ö×ӵϰ£¬Ò»°ãGMXʹÓÃPRODRG·þÎñÆ÷ÅÉÉúС·Ö×ÓÁ¦³¡µÄ...

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7Â¥2012-05-31 22:21:54
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zh1987hs: ½ð±Ò+2, лл 2012-05-31 15:12:58
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NO default proper Dih. types
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2Â¥2012-05-31 13:33:13
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2Â¥: Originally posted by jiaoyixiong at 2012-05-31 13:33:13
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NO default proper Dih. types
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3Â¥2012-05-31 17:41:35
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jiaoyixiong: ½ð±Ò+2, ¹ÄÀø½»Á÷ 2012-05-31 20:33:00
ÒýÓûØÌû:
3Â¥: Originally posted by ¿¼ÑÐÉúÑÄ at 2012-05-31 17:41:35
ÏÂÃæ¼´½«×öµçºÉƽºâËùÒÔÔÚÕâ²½ÖгöÏÖ-22µçºÉÊÇûÎÊÌâµÄ£¬ÎÒÖ÷ÒªÊDz»´óÃ÷°×£¬topÎļþ¹ØÓÚÕâ¸öµÄÉèÖ㬸ÃÔõôȥµ÷ÕûÄØ£¿Ð»Ð»...

Whatever force field you're trying to use does not have a dihedral term for that
type of dihedral. Either obtain suitable parameters from the literature,
parameterize it yourself, or use a different force field that can accommodate
this term
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4Â¥2012-05-31 19:19:26
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