Dear Alex, As far as I know, `martinize.py` is only meant to be used to coarse grain proteins. It won't give you an interface to coarse grain anything else:
http://www.cgmartini.nl/index.php/tools2/proteins-and-bilayers/204-martinize Since you're eluding to the idea of combining Martini water with a structure-based CG model, beware that this can lead to major inconsistencies. Best, Tristan On Mon, May 14, 2018 at 4:54 AM Alexander Alexander < [email protected]> wrote: > Dear all, > I was wondering what the correct usage of martinize.py is for mapping a > atomistic water.gro file to the P4 water martini coarse grained? > The "martinize.py -f AA-water.gro -x CG-water.gro ... " gives me only a > box of the system. > > How about when I have system including two type of molecules and water, > like " AA-water-mol1-mol2.gro"? I know the mapping (mapping.xml) of the > mol1 and mol2 in VOTCA. > > Thank you. > Alex > > -- > 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. > -- 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.
