Thank you Mark: That's a pitty!! I am not an informatician, is for that that I am not trying to implement it, becasue probably I do it not through a good or efficient code. Anyway I've been able to solve my problem using g_select and make_ndx and and very iterative bash scripts on each frame of my trajectories and then paste them again in a new one with trjcat. Finally mdrun -rerun on the new trr and g_energy et Voîla!!!
Thank you again Mark, hopefully someone with good programming skills want to develop this functionality in trjorder on ahead. It would be really useful!!! Juan José Galano Frutos Department of Biochemistry and Molecular and Cellular Biology, Faculty of Sciences, University of Zaragoza Pedro Cerbuna # 12, 50009 Zaragoza (Spain) +34 976 76 28 06 Institute for Biocomputation and Physics of Complex Systems (BIFI) Mariano Esquillor, Edificio I + D - 50018 Zaragoza (Spain) -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
