xi zhao wrote:
Dear sir :
how to motify the $5 in details?
Thank you!
Use a text editor (vi, emacs, gedit, etc), like you would to create any script.
-Justin
4
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--- *09年5月8日，周五, Justin A. Lemkul /<[email protected]>/* 写道：
发件人: Justin A. Lemkul <[email protected]>
主题: Re: [gmx-users] how to use atom2cg.awk
收件人: "Discussion list for GROMACS users" <[email protected]>
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
> 4
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>
>
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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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--
========================================
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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