2015-04-10 9:49 GMT-06:00 Albert Solernou <a.soler...@gmail.com>: > 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 <jung...@votca.org> >> wrote: >>> >>> Hi, >>> >>> Am 07.04.2015 07:52 schrieb "Albert Solernou" <a.sol...@gmail.com>: >>> > >>> > 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 votca+un...@googlegroups.com. >>> > To post to this group, send email to vo...@googlegroups.com. >>> > 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 votca+un...@googlegroups.com. >>> To post to this group, send email to vo...@googlegroups.com. >>> 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 votca+unsubscr...@googlegroups.com. > To post to this group, send email to votca@googlegroups.com. > 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 votca+unsubscr...@googlegroups.com. To post to this group, send email to votca@googlegroups.com. Visit this group at http://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
