[gmx-users] how to use atom2cg.awk

[xi zhao]

Dear sir :
how to motify the $5 in details?
Thank you! 





--- 09年5月8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 use atom2cg.awk
收件人: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
日期: 2009年5月8日,周五,下午6:46




xi zhao wrote:
> 
> 
> Dear Sirs:
>   I wang to know simulate coarse-graied system using gromacs, but I don not know how to use atom2cg.awk to convert CG model!
> Thank you very much!
> 

./atom2cg_v2.1_tryout.awk my.pdb > out.pdb

Note that the script available online needs to be modified to include a $5 between the $4 and $6 on each line, otherwise you will get an incorrectly-formatted .pdb file.

-Justin

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

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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