[gmx-users] How to convert coarse-grained to fine-grained
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.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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