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

On Sat, Apr 17, 2010 at 7:54 AM, XAvier Periole wrote: > > Really? This is really great! > Is there any need to specify the location of the vmd libraries? > By default it tries to find them at /usr/local/lib/vmd/plugins/*/molfile If you have them installed somewhere else you can specify it by s

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

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

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

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 wrote: > > Well I guess

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

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

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

Thanks Xavier, Could you make it more eloborate... Ram On Fri, Apr 16, 2010 at 4:38 PM, XAvier Periole 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 dyna

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

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

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

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 -- gmx-users mailing listgmx-users@gromac