Hi guys! I was force matching my intermolecular interactions, so had a big fmatch.xml with all my interactions and parameters (derived from csg_stat for each interaction). My query is then when I tried to generate potentials by using one large fmatch,xml file, it failed to run. Yet if I run each interaction separately from the fmatch.xml file, it is completely fine. Is there a correlation between each interaction in the fmatch.xml file? Is this something I should be concerned about, that the whole file fails to run, but each interaction is fine when i separate it?
Apologies if this is a really obvious question lol Many thanks! Rom -- 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.
