[gmx-users] How to convert coarse-grained to fine-grained

[Justin Lemkul]

On 12/20/12 11:38 AM, Kieu Thu Nguyen wrote:
> Dear All,
>
> I convert cg to fg representation by command lines
>
>   g_fg2cg -pcg cg.top -pfg fg.top -c cg.gro -n 1 -o fg.grog_fg2cg -pcg
> cg.top -pfg fg.top -c cg.xtc -n 1 -o cg2fg.xtc
>
> But there is a notice "command not found" in the terminal.
> I see this command used in Gromacs v3.3.1
> Does it not run in Gromacs v4.5 ?
>

g_fg2cg is not an official Gromacs program; it is part of a modified 3.3.1 
distribution provided by the MARTINI developers.  Their tutorial describes 
installing and using the modified version.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
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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