Thank Erik very much<br>is that also to say they are different versions and the opls-aa/L is the latest one.<br><br>zhoujm<br><br><br><br>> AA means all-atom, UA united-atom.<br><br>> <br><br>> The most recent version is OPLS-AA/L, for which a lot of sidechain <br><br>> torsions were modified compared to the vanilla -AA.<br><br>> <br><br>> There have been about half a dozen minor revisions/changes to the <br><br>> all-atom parameters since the first version in 1996; check out the <br><br>> references listed in share/top/ffoplsaa.itp for details.<br><br>> <br><br>> Cheers,<br><br>> <br><br>> Erik<br><br>> <br><br>> <br><br>> On Jan 10, 2005, at 2:34 PM, zjim wrote:<br><br>> <br><br>> > Hi all<br><br>> ><br><br>> > Can somebody tell me the difference between opls-aa/L and opls-aa or <br><br>> > opls-ua?Does they differ only in the parameters or some others.<br><br>> ><br><br>> > thank you in advance<br><br>> ><br><br>> ><br><br>> > zhjm<br><br>> ><br><br>> ><br><br>> ><br><br>> ><br><br>> ><br><br>> > ·飞飞，第一款会飞的网游欢迎您！<br><br>> > ·1.5G全国最大空间——网易126免费邮箱 http://www.126.com 火热抢注中>>> <br><br>> > _______________________________________________<br><br>> > gmx-users mailing list<br><br>> > gmx-users@gromacs.org<br><br>> > http://www.gromacs.org/mailman/listinfo/gmx-users<br><br>> > Please don't post (un)subscribe requests to the list. Use the<br><br>> > www interface or send it to gmx-users-request@gromacs.org.<br><!-- footer --><br><br><br>
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