Hi Christoph, My topology.xml does contain exclusions. I have only specified nrexcl 3 which I thought should do the job. Do I need to specify exclusions in the topology.xml or in the gromacs topology file ? Thanks for the prompt response.
Best regards, Christianna > On 14 Dec 2019, at 1:26 AM, Christoph Junghans <[email protected]> wrote: > > csg_dump --excl --top <topology_file> -- 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/7889732D-B264-4FBB-A951-271C1190FB7F%40gmail.com.
