Dear Jang, As far as I know VOTCA does not provide reverse mapping tool but there are few methods available on the market that you could try.
You can have a look in the following papers: 1. Rzepiela, A. J., Louhivuori, M., Peter, C. & Marrink, S. J. Hybrid simulations: combining atomistic and coarse-grained force fields using virtual sites. *Phys. Chem. Chem. Phys.* *13,* 10437–48 (2011). 2. Wassenaar, T. a., Pluhackova, K., Böckmann, R. a., Marrink, S. J. & Tieleman, D. P. Going Backward: A Flexible Geometric Approach to Reverse Transformation from Coarse Grained to Atomistic Models. *J. Chem. Theory Comput.* *10,* 676–690 (2014). 3. Krajniak, J., Pandiyan, S., Nies, E. & Samaey, G. Generic Adaptive Resolution Method for Reverse Mapping of Polymers from Coarse-Grained to Atomistic Descriptions. *J. Chem. Theory Comput.* *12,* 5549–5562 (2016). 4. Lazutin, a a, Glagolev, M. K., Vasilevskaya, V. V & Khokhlov, a R. Hypercrosslinked polystyrene networks: an atomistic molecular dynamics simulation combined with a mapping/reverse mapping procedure. *J. Chem. Phys.* *140,* 134903 (2014). 5. Kacar, G., Peters, E. a. J. F. & de With, G. Multi-scale simulations for predicting material properties of a cross-linked polymer. *Comput. Mater. Sci.* *102,* 68–77 (2015). Best, Jakub On Wed, Jun 21, 2017 at 11:52 AM, Chang Woon Jang <[email protected]> wrote: > Dear Votca users, > > I have a question about back mapping tool from CG to atomistic > representation with VOTCA. > > Is this available/possible with VOTCA? > > Thank you. > > 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. > -- Jakub Krajniak jkrajniak.pl -- 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.
