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.
