[gmx-users] is it possible to convert NAMD psf file to gromacas format?
francesco.oteri at gmail.com
Sun May 29 22:14:30 CEST 2011
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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