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.peri...@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.peri...@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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