Hi Christoph,
I have corrected the mapping file. However, when creating the exclusion.txt I noticed this file was not correct. For this I generated a .tpr file without exclusions
and use:
csg_boltzmann --top mma_trimer_sd_noexclusions.tpr --cg mma_trimer_mapping.xml --excl exclusions.txt
I used votca 1.6.2. I tried two other versions of votca, sourcing someone else installation, votca 1.6-dev and a local machine version.
I supposed this is a problem with my installation. Is there a way to check that votca was installed correctly? I did not get any error while installing it. And I have not seen anyone with this problem browsing the messages.
I have attached the mapping file and the exclusion files for the different votca versions.
details of the versions below
csg_boltzmann, version 1.6.2 gitid: 9b6bbd0 (compiled Dec 19 2020, 15:56:40)
votca_tools, version 1.6.2 gitid: 9b6bbd0 (compiled Dec 19 2020, 15:55:42)
gromacs, 2019.4 (single precision)
csg_boltzmann, version 1.6-dev gitid: e42c3e100 (compiled Jun 30 2020, 17:41:20)
votca_tools, version 1.6-dev gitid: e42c3e100 (compiled Jun 30 2020, 17:40:52)
gromacs, 2019.4 (single precision)
csg_boltzmann, version 1.5 (compiled Feb 8 2019, 02:59:36)
votca_tools, version 1.5 (compiled Feb 8 2019, 02:57:53)
gromacs, 2019.1 (double precision)