[gmx-users] Re

[zjim]

thanks a lot , David.
it's ok now!

> On Sun, 2005-01-16 at 13:50 +0800, zjim wrote:

> > hi gmx developers

> > I want to append some parameter to the opls-aa FF parameter file in

> > order to expand it to carbohydrate.

> > As for the [bondtypes] and [angletypes], it is ok.

> > yet for [dihedraltypes], the parameter showed in the file

> > "ffoplsaabon.itp" is 

> > < i j k l func coefficients >, but the origin data for me is V1 V2 V3,

> > so how can i do for this.

> check the manual.

> 

> > 

> > thanks a lot

> > 

> > Shanghai Institute of Organic Chemistry

> > Computational Chemistry Lab

> > 

> > 

> > 

> > 

> > 

> > 

> > ・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 >>> 

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> -- 

> David.

> ________________________________________________________________________

> David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,

> Dept. of Cell and Molecular Biology, Uppsala University.

> Husargatan 3, Box 596,          75124 Uppsala, Sweden

> phone:  46 18 471 4205          fax: 46 18 511 755

> spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

> 

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