Hi Christoph, Thank you for your reply.
I did "head Trajectory2.xyz", and it gives me the following output. ITEM: TIMESTEP 0 ITEM: NUMBER OF ATOMS 360 ITEM: BOX BOUNDS pp pp pp 0.0000000000000000e+00 1.5430965000000000e+01 0.0000000000000000e+00 1.5430965000000000e+01 0.0000000000000000e+00 1.5430965000000000e+01 ITEM: ATOMS id mol type q xs ys zs 199 3 4 0.053 0.358814 0.135826 0.17584 But, i think i have figured out the solution. I went through the different post in the group and noticed that csg_stat command is able to read trajectory.dump file. So, i just compared my file, Trajectory2.xyz, with one of the .dump file available on the group post and noticed that the format of the .dump file is exactly similar to my .xyz file. So, i just changed the extension of my file from .xyz to .dump, and now csg_stat is able to read this file. Thank you. Sanjeet On Tuesday, September 6, 2022 at 4:00:31 PM UTC-4 Christoph Junghans wrote: > On Tue, Sep 6, 2022 at 10:54 AM Sanjeet Singh <[email protected]> wrote: > > > > Hi Christoph, > > > > I am trying to generate the radial distribution function using the > following command: > > > > csg_stat --top topology.xml --trj Trajectory2.xyz --cg PEO-10.xml > --options setting-BON-RDF.xml --nt 2 > > > > But, i am getting the following error. > > > > an error occurred: > > First line of xyz file should contain number of atoms/beads, nothing > else. > > > > Can you please help me with this. > Can you do the following: > $ head Trajectory2.xyz > > Christoph > > > > Thank you. > > > > Sanjeet > > > > -- > > Join us on Slack: https://join.slack.com/t/votca/signup > > --- > > 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 view this discussion on the web visit > https://groups.google.com/d/msgid/votca/a679924f-a805-42bb-9bc8-4acb70356bb6n%40googlegroups.com > . > > > > -- > Christoph Junghans > Web: http://www.compphys.de > -- Join us on Slack: https://join.slack.com/t/votca/signup --- 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 view this discussion on the web visit https://groups.google.com/d/msgid/votca/40d7039e-600d-4f7a-8a35-803a72dc7f11n%40googlegroups.com.
