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

Justin Lemkul jalemkul at vt.edu
Thu Dec 20 17:54:30 CET 2012

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 A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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