Terrific! Thank you very much Christoph. Cheers. Albert
On Monday, April 13, 2015 at 11:15:06 PM UTC+1, Christoph Junghans wrote: > > 2015-04-10 9:49 GMT-06:00 Albert Solernou <[email protected] > <javascript:>>: > > Thanks guys, > > I may have a look over the next few days. > Implemented: > < > https://code.google.com/p/votca/source/detail?r=91580e26a7283b5f8c3187c123975e45ec22b678&repo=csg> > > > > Have fun, > > Christoph > > > > > Cheers, > > Albert > > > > > > On Wednesday, April 8, 2015 at 4:16:48 AM UTC+1, sikandar wrote: > >> > >> Hi Albert, > >> > >> As Christoph suggested, it is not that hard to implement it. To get an > >> idea about how to read and write trajectories, you can look at > traj_force > >> example in the csg application tools > >> > https://code.google.com/p/votca/source/browse/?repo=csgapps#hg%2Ftraj_force. > > >> > >> I hope it helps. > >> > >> Cheers, > >> Sikandar > >> > >> On Tue, Apr 7, 2015 at 1:33 PM, Christoph Junghans <[email protected]> > >> wrote: > >>> > >>> Hi, > >>> > >>> Am 07.04.2015 07:52 schrieb "Albert Solernou" <[email protected]>: > >>> > > >>> > Hi, > >>> > do you know how can I get a CG trajectory that includes the forces? > I > >>> > have a gromacs trajectory and: > >>> Yes, this function is simply not implemented! It isn't hard to do, but > >>> nobody needed it so far. > >>> > >>> Cheers, > >>> > >>> Christoph > >>> > >>> > csg_map --top md_1.tpr --trj md_1.trr --cg water.xml --out cg.trr > >>> > outputs a cg trajectory that does not include the forces according > to > >>> > gmx check -f cg.trr > >>> > although the velocites look correctly included when I add the --vel > >>> > flag. > >>> > > >>> > Thanks, > >>> > Albert > >>> > > >>> > -- > >>> > You received this message because you are subscribed to the Google > >>> > Groups "votca" group. > >>> > To unsubscribe from this group and stop receiving emails from it, > send > >>> > an email to [email protected]. > >>> > To post to this group, send email to [email protected]. > >>> > Visit this group at http://groups.google.com/group/votca. > >>> > For more options, visit https://groups.google.com/d/optout. > >>> > >>> -- > >>> You received this message because you are subscribed to the Google > Groups > >>> "votca" group. > >>> To unsubscribe from this group and stop receiving emails from it, send > an > >>> email to [email protected]. > >>> To post to this group, send email to [email protected]. > >>> Visit this group at http://groups.google.com/group/votca. > >>> For more options, visit https://groups.google.com/d/optout. > >> > >> > > -- > > You received this message because you are subscribed to the Google > Groups > > "votca" group. > > To unsubscribe from this group and stop receiving emails from it, send > an > > email to [email protected] <javascript:>. > > To post to this group, send email to [email protected] > <javascript:>. > > Visit this group at http://groups.google.com/group/votca. > > For more options, visit https://groups.google.com/d/optout. > > > > -- > Christoph Junghans > Web: http://www.compphys.de > -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To post to this group, send email to [email protected]. Visit this group at http://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
