Hi Christoph, This option is used each time I need to make a topology file for the CG runs. I would think creating exclusions using csg_boltzmann should be equivalent to using number of exclusions as 3 in the CG topology file. This should take care of excluding atoms connected by bonds, angles and dihedrals. Isn't it so?
Also, I need to use VOTCA 1.3 because I am performing IBI on both bonded and non-bonded inter actions. -Pallavi Banerjee On Monday, December 14, 2015 at 10:36:31 AM UTC+5:30, Pallavi Banerjee wrote: > > Hello, > > When I try to generate an exclusions list with the following (attached) > mapping file, I get run into the following error: > > The command I use is: > > csg_boltzmann --top nvt_prod.tpr --cg PAM_map.xml --excl exclusions.txt > > CsgBoltzmann::CreateExclusionList not implemented > > The same mapping file works when I do other operations, like creating > histograms for interactions. > > Any help is much appreciated! > > Thanks. > > -Pallavi Banerjee > -- 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 post to this group, send email to [email protected]. Visit this group at https://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
