Dear Mark, Thanks. I did not specify that parameter, as you correctly suggested. I'm re-running the simulations and see what happens.
Thanks Simone Il lun 2 apr 2018, 17:44 Mark Abraham <mark.j.abra...@gmail.com> ha scritto: > Hi, > > Probably you didn't use nstfout to save forces - use gmx check -f on your > trajectory file to see. > > Mark > > On Mon, Apr 2, 2018, 15:55 Simone Orioli <simone.ori...@unitn.it> wrote: > > > Dear all, > > I have a short simulation in implicit solvent and I want to compute the > > average force acting on the molecule at each frame. I tried to run the > > following > > > > g_traj -f traj.trr -s traj.tpr -cf -af force.xvg > > > > but I get the following error: > > > > No frames found for average force, will not write force.pdb. > > > > The .trr and .tpr files are provided as output of the md simulation. What > > am I doing wrong? Thanks. > > > > Simone > > -- > > > > > ---------------------------------------------------------------------------------- > > Simone Orioli > > PhD Student in Statistical Mechanics of Biomolecules > > > > Dipartimento di Fisica > > Universita' degli Studi di Trento > > Via Sommarive 14, Povo (Trento) > > 38123, Italia > > > > Phone: +39 333 8116141 > > -- > > 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. > > > -- > 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. > -- 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.