2015-09-17 12:37 GMT-06:00 Marc Charendoff <[email protected]>: > Hello, > > Dumb question from new user. I'm attempting to do the SPC/E water > example and I am a little confused during the mapping where the directions > are to "remove all fmatch options from dist.xml." Does that mean to clear > out all of the fields? I see an fmatch section, non-bonded interaction entry > info dimension and grid spacing, and fmatch specific "stuff." Which of these > are to be cleared? When I clear everything I get "an error occurred: invaid > type: wrong type in cg.non-bonded.step" I apologize again for the naïve > question - I just know I'm missing something obvious, yes, just remove the whole <fmatch> block. Alternatively just leave it there, as csg_stat will ignore it, but we want to convince uses to keep their xml files clean ;-)
Christoph > > Much Thanks, Marc > > -- > 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.
