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问题:可以算mm3的免费的计算软件TINKER
类型:推荐
提问:kez
等级:▲▲▲
版块:计算化学资源()
信誉:84%
回复:4
阅读:1405
时间:2005-02-27 18:02:48  编辑    加入/取消收藏    订制/取消短消息    举报该贴    

The TINKER molecular modeling software is a complete and general package for molecular mechanics and dynamics, with some special features for biopolymers. TINKER has the ability to use any of several common parameter sets, such as Amber (ff94, ff96, ff98 and ff99), CHARMM (19 and 27), Allinger MM (MM2-1991 and MM3-2000), OPLS (OPLS-UA, OPLS-AA and OPLS-AA/L), Liam Dang's polarizable potentials, and our own AMOEBA polarizable atomic multipole force field. Parameter sets for other standard force fields such as GROMOS, UFF, ENCAD and MM4 are under consideration for future releases.

http://dasher.wustl.edu/tinker/


回复人:zbqxwd2, () 时间:2006-03-01 17:38:51   编辑 1楼
资源不错,加0.1分


回复人:fengyu211,▲▲▲ (有东东共享) 时间:2006-03-17 23:15:29   编辑 2楼
资源不错,加0.3分


回复人:njpich, () 时间:2006-05-09 22:21:11   编辑 3楼
资源不错,加0.3分


回复人:flychem, () 时间:2006-06-15 08:20:24   编辑 4楼
资源不错,加0.3分




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