2014-05-19 7:52 GMT-06:00 Jakub Krajniak <[email protected]>: > Dear, > > I have a question regarding TF force that could be calculated by VOTCA. I > saw in tutorial that it was done > in case when the split scheme was sphere. Is it also ready to work with the > xsplit scheme? Yes, for VOTCA doesn't care if the density profile is radial or not.
> How should I choose the <non-bonded><min>/<max> values and also > <splin_start>/<splin_end> values in > that case? In the case of xsplit, min, max, splin_start and splin_end are values in x direction. (see update_tf_single.sh for the details on how the argument of csg_density are determined.) Christoph > > Best, > Jakub Krajniak > > -- > Jakub Krajniak, Computer Science Department @ KU Leuven > > -- > 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 http://groups.google.com/group/votca. > For more options, visit https://groups.google.com/d/optout. -- Christoph Junghans Web: http://www.compphys.de -- 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 http://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
