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

[Kieu Thu Nguyen]

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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