Dear sir :
how to motify the $5 in details?
Thank you!
--- 09年5月8日，周五, Justin A. Lemkul <jalem...@vt.edu> 写道：
发件人: Justin A. Lemkul <jalem...@vt.edu>
主题: Re: [gmx-users] how to use atom2cg.awk
收件人: "Discussion list for GROMACS users" <gmx-users@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
> 4
> <http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844>
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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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