On Sun, Aug 9, 2020 at 11:10 AM MASON HOOTEN <[email protected]> wrote: > > Hello, > > I believe I was finally able to install VOTCA 1.6.1, but am seeing some a > version error when trying to run the tutorial commands. It seems that maybe > my VOTCA version is looking for an old version of GROMACS? I separately > installed GROMACS 2020.3, manually sourced the commands, and verified that > "which gmx" points to the correct version. See error example below. Any > thoughts? This error basically means your csg_stat (VOTCA) was built against an older version of Gromacs (2018.1) than the one you are currently running (2020.3). It is important to note that gromacs-2020 doesn't support tabulated interactions anymore, so if you are doing coarse-graining you will have to stick to the 2019 version of gromacs.
Christoph > > Best, > > Mason > > **** > ~/votca tutorials/csg-tutorials-master/spce/atomistic$ csg_map --top > topol.tpr --trj conf.gro --cg water.xml --out conf_cg.gro > Reading file topol.tpr, VERSION 2020.3 (single precision) > > ------------------------------------------------------- > Program: GROMACS, version 2018.1 > Source file: src/gromacs/fileio/tpxio.cpp (line 3185) > > Fatal error: > reading tpx file (topol.tpr) version 119 with version 112 program > > > -- > 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/4a055274-be73-4d2e-860e-b8e8f741cf1bn%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/CAHG27e6NMkTxEXdZnkexZS1%2BNbY3kghTSKdK4ALCgyCMtp0cTg%40mail.gmail.com.
