Hello, I am trying out this new method of integrating MARTINI and IBI. This is because mine is an aqueous system and MARTINI water follows a 4:1 mapping as opposed to IBI which limits you to a 1:1 mapping for water. The idea is to perform IBI on just polymer-polymer interactions while keeping the potential of interactions of water-water and polymer-water fixed. I obtain these aforementioned potentials from rdfs of separate MARTINI runs, which I plan to provide as input. I am unable to figure out a way to instruct VOTCA to take these potentials as they are.
Any help is appreciated. -Pallavi Banerjee -- 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.
