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

[Tsjerk Wassenaar]

Hi KT,

You can have multiple versions installed next to each other. You don't need
to remove the version you have to install 3.3.1. Just make sure that you
install them in separate directories and that you source the correct GMXRC
file.

Cheers,

Tsjerk

On Fri, Dec 21, 2012 at 8:53 AM, Kieu Thu Nguyen <kieuthu2212 at gmail.com>wrote:

> But, are there any way using this tool in Gromacs v4.5 ? Since i don't want
> to remove version 4.5 and install version 3.3.1
>
> Thank All !
> KT
>
>
> On Fri, Dec 21, 2012 at 6:41 AM, Kieu Thu Nguyen <kieuthu2212 at gmail.com
> >wrote:
>
> > Thank Justin so much ! :-)
> > KT
> >
> >
> > On Thu, Dec 20, 2012 at 11:54 PM, Justin Lemkul <jalemkul at vt.edu> wrote:
> >
> >>
> >>
> >> 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
> >>
> >> --
> >> ==============================**==========
> >>
> >> 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<
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
> >>
> >> ==============================**==========
> >> --
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-- 
Tsjerk A. Wassenaar, Ph.D.

post-doctoral researcher
Biocomputing Group
Department of Biological Sciences
2500 University Drive NW
Calgary, AB T2N 1N4
Canada