Hello Users, Firstly, apologies for being such a frequent questioner. I am just a novice.
To generate target bonded potentials for the bonded-IBI, are the following steps in the right order? 1. csg_boltzmann to generate the potentials directly from the distributions. 2. Manual clipping of poorly-sampled regions. 3. csg_resample to provide regular gridding 4. csg_call to extrapolate the above 5. export the above to .xvg using csg_call. And for step 2, should the min and max be the same as that in the file that is obtained from 1? Many Thanks! -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.
