Dear Christoph, Thank you for your email, I want to use RE with LJ612 parameters, which as far as I know, has been implemented in votca, I did not find any sample tutorial for itp and setting file. Would be glad to get some help in this matter.
Thanks, Alireza On Thursday, February 4, 2016 at 2:12:30 PM UTC-6, Christoph Junghans wrote: > > 2016-02-04 12:16 GMT-07:00 Alireza Moradzadeh <[email protected] > <javascript:>>: > > Dear Users, > > > > I want to use IBI and IMC with just providing epsilon and sigma between > > pairs. Is it possible or not. I know it is possible for RE method. But I > am > > not sure about IBI and IMC. > This is currently not possible with VOTCA. Mainly because we don't > have a universal receipt to map the IMC/IBI update equation onto > potentials with functional form. > > Christoph > > > > Thanks, > > Alireza > > > > -- > > 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] <javascript:>. > > To post to this group, send email to [email protected] > <javascript:>. > > Visit this group at https://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 https://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
