Dear all, After reading a lot of the literature available on relative entropy minimization as a coarse graining technique I am extremely keen on using it for my research.
I was wondering wether it would be possible/feasible (in a reasonable amount of time) to use VOTCA to coarse grain a protein (~500 atoms) using RE. I am also not sure about what if any parallelization VOTCA has that would reduce the required time (and if it does how to use it). Would having a parallel GROMACS help? Regards and thanks in advance, Daniel -- 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.
