<br>thanks a lot , David.<br>it's ok now!<br><br>> On Sun, 2005-01-16 at 13:50 +0800, zjim wrote:<br><br>> > hi gmx developers<br><br>> > I want to append some parameter to the opls-aa FF parameter file in<br><br>> > order to expand it to carbohydrate.<br><br>> > As for the [bondtypes] and [angletypes], it is ok.<br><br>> > yet for [dihedraltypes], the parameter showed in the file<br><br>> > "ffoplsaabon.itp" is <br><br>> > < i j k l func coefficients >, but the origin data for me is V1 V2 V3,<br><br>> > so how can i do for this.<br><br>> check the manual.<br><br>> <br><br>> > <br><br>> > thanks a lot<br><br>> > <br><br>> > Shanghai Institute of Organic Chemistry<br><br>> > Computational Chemistry Lab<br><br>> > <br><br>> > <br><br>> > <br><br>> > <br><br>> > <br><br>> > <br><br>> > ·网易126邮箱--中文邮箱第一品牌 1.5G空间,30兆附件 http://www.126.com >>> <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><br>> -- <br><br>> David.<br><br>> ________________________________________________________________________<br><br>> David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,<br><br>> Dept. of Cell and Molecular Biology, Uppsala University.<br><br>> Husargatan 3, Box 596, 75124 Uppsala, Sweden<br><br>> phone: 46 18 471 4205 fax: 46 18 511 755<br><br>> spoel@xray.bmc.uu.se spoel@gromacs.org http://xray.bmc.uu.se/~spoel<br><br>> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++<br><br>> <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><br>> <br><!-- urlfiles --><br><br><!-- footer --><br><br><br>
<table width="100%" border="0" cellspacing="1" cellpadding="0"><tr><td height="1" bgcolor="#09448E"></td></tr></table>
<font style="font-size:14.8px">
<!--广告footer 开始-->
<!--广告footer 结束-->
<!--内部footer开始-->
<br>
·<a href="http://www.126.com" target="_blank"><font color=blue>网易126邮箱--中文邮箱第一品牌 1.5G空间,30兆附件 http://www.126.com >>></font></a> <img src="http://mail.163.com/favicon.ico" width=16 height=16 border=0>
<!--内部footer结束-->
</font>