<DIV>Thank your advance</DIV>
<DIV> I have check the residue names, in glyco parts, it contain:NLN,2MA,6MA,WMB,4YB,0YB,XMA,0MA and so on.and I found the define of the residue ,but the format of the define isn't adopt to the Gromacs 's .rtp file. now I don't know how to do it, who can help me? thanking all<includetail></DIV>
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<DIV id=menu_sender><B>发件人:</B> "Yun Shi"<yunshi09@gmail.com>;</DIV>
<DIV><B>发送时间:</B> 2011年12月15日(星期四) 上午10:48</DIV>
<DIV><B>收件人:</B> "Discussion list for GROMACS users"<gmx-users@gromacs.org>; <WBR></DIV>
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<DIV><B>主题:</B> Re: [gmx-users] MD simulation of Glycoproteion</DIV></DIV>
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<DIV class=gmail_quote>2011/12/14 陈应广 <SPAN dir=ltr><<A href="mailto:525342307@qq.com">525342307@qq.com</A>></SPAN> <BR>
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<DIV>Dear gromacs users</DIV>
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<DIV> I used Gromacs in order to get a MD simulation of Glycoproteion.now I have got the Glycoproteion's PDB file,When I want to MD by GMX,it gave a Warnning:Fatal error: Residue "...."not found in residue topology database. And I know it was because of the force field,I want to know which force field should be choose in GMX,And where I can get the force field?? <I>Any suggestions?<BR></I></DIV></DIV></DIV></DIV></DIV></BLOCKQUOTE>
<DIV><BR>I guess you have to check the residue names, especially those glyco parts, which are probably not in the force field you chose.<BR> </DIV>
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<DIV><I></I> That's all.</DIV>
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<DIV> Thank you</DIV></DIV><U></U></DIV></DIV></DIV><BR>--<BR>gmx-users mailing list <A href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</A> <BR><A href="http://lists.gromacs.org/mailman/listinfo/gmx-users" target=_blank>http://lists.gromacs.org/mailman/listinfo/gmx-users</A> <BR>Please search the archive at <A href="http://www.gromacs.org/Support/Mailing_Lists/Search" target=_blank>http://www.gromacs.org/Support/Mailing_Lists/Search</A> before posting!<BR>Please don't post (un)subscribe requests to the list. Use the<BR>www interface or send it to <A href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</A>.<BR>Can't post? Read <A href="http://www.gromacs.org/Support/Mailing_Lists" target=_blank>http://www.gromacs.org/Support/Mailing_Lists</A> <BR></BLOCKQUOTE></DIV><BR></DIV></includetail></DIV>