[gmx-users] is it possible to convert NAMD psf file to gromacas format?

[Francesco Oteri]

Topology file is suitable for analysis. I succesfully used the .top to 
analyse hydrogen bond and salt-bridges.
I don't know if problems would arise for simulation.


Il 29/05/2011 22:10, albert ha scritto:
> Thank you very much for kind advices. Here is some warning, and I 
> don't know whether there would be some problem or not:
>
> ; 'fake' gromacs topology generated from topotools.
> ; WARNING| the purpose of this topology is to allow using the |WARNING
> ; WARNING| analysis tools from gromacs for non gromacs data. |WARNING
> ; WARNING| it cannot be used for a simulation. |WARNING
>
>
>
> At 2011-05-30£¬"Francesco Oteri"<francesco.oteri at gmail.com>  wrote:
>
> >Il 29/05/2011 21:58, albert ha scritto:
> >>  Hello:
> >>  I am wondering, is it possible to convert NAMD topol psf file into
> >>  Gromacs topol format?
> >>
> >>  Thank you very much
> >
> >Hi albert,
> >you can try with the following commands:
> >
> >vmd .psf .pdb
> >topo writegmxtop output.top
> >
> >I recently tried with vmd1.9
> >
> >-- 
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