Dear Users, I see that table_a1 and table_b1 are the angle and bond potential files.
Thank you. Best regards, Changwoon Jang On Fri, Jan 22, 2016 at 3:15 PM, Chang Woon Jang <[email protected]> wrote: > Dear Votca Users, > > I would like to run IBI using csg_inverse. > > I am looking at tutorials at hexane and propane. > > My question is what table_a1.xvg and table_a2.xvg files are. > > Are those initial nonbonded tabulated guess potentials for A and B? Where > do they come from? > > If so, can I first obtain those initial guess potentials from STOCK or > force matching method using csg_fmatch? > > Thank you very much. > > > Best regards, > Changwoon Jang, > > -- 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.
