On Mon, May 31, 2021 at 4:34 AM 'Tushita Rohilla' via votca <[email protected]> wrote: > > Dear team, Hope you are doing great and are safe and healthy !!! > > I want to use VOTCA for running coarse-grained simulations of a polymer and > water system in LAMMPS. I have gone through the IBI and FM theory and read > papers. But I have not been able to figure our where to start. I have only > been able to install VOTCA through apt-get but dont know where it is > installed and how to use it. Along with this, I have only been able to figure > out through the files in the distribution that I shoud run an all-atom > simulation of atleast one polymer chain having sufficient number of repeat > units to capture forces in the dump file. That I find doable still but then > how to integrate it with VOTCA...please let me know..I will be > grateful...thanks..
First figure out what exact version you have installed, by running csg_call --version or csg_stat --help. Then download the exact(!) same version of the tutorials from here: https://github.com/votca/csg-tutorials/releases Once unpacked there is a guide/README you can follow. Christoph > > -Tushita > > -- > 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/8a6d9357-dad9-452b-a0be-7722c09f4b25n%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/CAHG27e43Lm7RDW%3D_weVF6%3DiQ-fVAEccgrui%3D9Xvbiy-1zt%2BD1A%40mail.gmail.com.
