[gmx-users] how to show structure results in Martini coarse-grained simulation?

xi zhao zhaoxiitc2002 at yahoo.com.cn
Fri May 7 13:37:57 CEST 2010

Yes, the PSF file has NBOND section and the script finished without any errors! But it does not show any bonded! 
Thank you! 

--- 10年5月7日,周五, Justin A. Lemkul <jalemkul at vt.edu> 写道:

发件人: Justin A. Lemkul <jalemkul at vt.edu>
主题: Re: [gmx-users] how to show structure results in Martini coarse-grained simulation?
收件人: "Gromacs Users' List" <gmx-users at gromacs.org>
日期: 2010年5月7日,周五,下午7:10

xi zhao wrote:
> Yes, I load my coarse-grained PDB ,then load ps as data, but the stucture still was full of points .

Is a proper "!NBOND" section generated in your .psf file?  If the script finishes without any errors, the output should be viable.


-- ========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080

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