[gmx-users] Inverse CG MARTINI trajectory

XAvier Periole x.periole at rug.nl
Thu Jul 28 18:38:11 CEST 2016


There is an older tool than backward accessible on cgmartini.nl <http://cgmartini.nl/>, it is in the reverse section … works with an older version of gmx.

I believe other people have developed similar tools but not sure that they work on xtc.

But I’d be suggesting you try to contact Tsjerk on the Martini Blog. It is always good to report errors and get them fixed.

XA-

> On 28 Jul 2016, at 16:44, shivangi nangia <shivangi.nangia at gmail.com> wrote:
> 
> Dear Gromacs Users,
> 
> I need to inverse CG a MARTINI trajecory.
> 
> 
> I have been using the Backward script successfully multiple times with gro
> files.
> 
> However, this time I need .xtc as the inverse coarse grained output
> trajectory.
> 
> I tried backward script but it runs into an error.
> 
> Is there any other tool or utility that will inverse CG a MARTINI .xtc to
> all-atom .xtc.?
> 
> Many thanks in advance,
> sxn
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