Re: [votca] Mapping and topology files for systems with variuos molecule types

2017-08-29 8:02 GMT-06:00 : > Hi Christoph, > > I followed the manual instructions and fist created input files for mapping > single chain. > My goal is to map the atomistic chains into 10-beads coarse-grained chains. > The atomsitic chains have different structures. That is

Re: [votca] Mapping and topology files for systems with variuos molecule types

Hi Christoph, I followed the manual instructions and fist created input files for mapping single chain. My goal is to map the atomistic chains into 10-beads coarse-grained chains. The atomsitic chains have different structures. The files are attached. I run cg_map and it works fine: cg_map --top