Hello MPID (?), Sorry, I did not see your first message.
For the tpic algorithm, the coordinate of insertion is the last coordinate (after the particle to be inserted) in the .tpr you give for the mdrun -rerun. Hence, you should create a structure file (.gro) with the original system, followed by the particle to be inserted, and lastly, the coordinate of insertion. Run this structure file through grompp to generate a .tpr file, which you shall give to mdrun. I hope this has helped. Best, João On Sun, Mar 4, 2012 at 10:43 PM, MPID <mpmcgov...@wisc.edu> wrote: > If no one knows this, does anyone know the best way to add a coordinate to > a > trajectory in general? > > -- > View this message in context: > http://gromacs.5086.n6.nabble.com/Test-particle-insertion-extra-coordinate-tp4536816p4546083.html > Sent from the GROMACS Users Forum mailing list archive at Nabble.com. > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- João M. Damas PhD Student Protein Modelling Group ITQB-UNL, Oeiras, Portugal Tel:+351-214469613
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