On Tue, Sep 13, 2022 at 12:56 PM Sanjeet Singh <[email protected]> wrote: > > Hi Christoph, > > I wish to get the initial configuration file for coarse grain run using the > following command: > > csg_map --top topology.xml --trj TEST.data --cg PEO-10.xml --out PEO.data > > But, it is giving me the following error: > > an error occurred: > Error 'data' file format of file 'PEO.data' cannot be read or written > > On the contrary, I am able to get the .dump, .gro, and .xyz extension files > using the same command. > > Is there any issue with the .data file? Yup, we don't have a data file writer, we can only write dump files. (or the formats mentioned above) But in your case a dump file should work as well.
Christoph > > I am following the spce ibi_lammps tutorial. > > Thank you, > > Sanjeet Kumar Singh > > -- > 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/181d3461-04e7-4e32-b9b4-71b24cb57b89n%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/CAHG27e6osjgznTrJnzjv7xu3RGLnbGQ4_%2BMBKATH05JeG%3DF-zg%40mail.gmail.com.
