Siyu,
On Fri, Oct 11, 2019 at 09:16 Siyu Ge <[email protected]> wrote: > Hello All, I have installed votca and I want to use votca to generate the > coarse-grained potential for lammps running, I have read some questions in > mailing list, but I am still puzzled by data file for lammps, how can I get > the lammps data file,I have tried a method referred before, it was convert > the gro file to get the coordniates, but the convert file doesn't include > information like the data file in csg_tutorials/spce/ibi_lammps/spce.data > So can anyone give me a solution to obtain the data file for lammps, Also > if someone have complete process to run lammps input files using votca IBI > method would be nice. Best regards, siyu There is no way to automatically generate these inputs as you will to pick a lot of the simulation settings according to your problem setup. Christoph > > ------------------------------ > Sent from the votca mailing list archive > <http://votca.966470.n3.nabble.com/> at Nabble.com. > > -- > 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/1570694025169-0.post%40n3.nabble.com > <https://groups.google.com/d/msgid/votca/1570694025169-0.post%40n3.nabble.com?utm_medium=email&utm_source=footer> > . > -- Christoph Junghans Web: http://www.compphys.de -- 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/CAHG27e7P0R98RDT4xs_DqCSg-BQxS78CEWsC%2BKcHUtCEMvvAiA%40mail.gmail.com.
