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

[Roland Schulz]

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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