[gmx-users] conversion of desmond trajectory files into gromacs

[XAvier Periole]

Really? This is really great!
Is there any need to specify the location of the vmd libraries?

If a tpr file is needed for the analysis (eg: trjconv -pbc mol) is this
somehow still possible?

On Apr 16, 2010, at 10:07 PM, Roland Schulz wrote:

> In case you use the GIT version of the analysis tools you don't need  
> to convert the trajectories first.
> I've added that the analysis tools can read all vmd supported file  
> formats if GROMACS finds the vmd libraries.
>
> Roland
>
> On Fri, Apr 16, 2010 at 11:33 AM, XAvier Periole <x.periole at rug.nl>  
> wrote:
>
> Well I guess you want to use gmx analysis tools so you'll have to
> build the gmx topology of your system when necessary! Often
> only a pdb file or a gro file is sufficient.
>
>
> On Apr 16, 2010, at 5:24 PM, ram bio wrote:
>
> Thanks Xavier,
>
> Could you make it more eloborate...
>
> Ram
>
> On Fri, Apr 16, 2010 at 4:38 PM, XAvier Periole <x.periole at rug.nl>  
> wrote:
>
> VMD reads Desmond trajectories and writes GMX format ...
> Rests the topology to deal with ...
>
> On Apr 16, 2010, at 4:15 PM, ram bio wrote:
>
> Dear All,
>
> I have run a dynamics of protein ligand complex in lipid bilayer dppc
> using desmond software and would like to convert the trajectory files
> files into gromacs format, is it possible?? if so, please let me know
> your suggestions.
>
> Thanks,
>
> Ram
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