Re: [votca] csg_boltzmann question and tabulated potential file from it

2015-10-09 12:33 GMT-06:00 Chang Woon Jang : > Dear Christoph Junghans, > >Can I use csg_inverse for getting bonded and non-bonded potentials > instead? Yes! Actually csg_inverse does iterative Boltzmann inversion of which calculating potentials is a part of. > > In

[votca] Re: installation from build.sh -> connection timed out

Hi. Im sorry to bother you again, but the installation is still not working unless I exclude GSL. Im not quite sure, but i think i need gsl for force matching and ibi,right? Anyway, if i build cg using DWITH_GSL=OFF, no binary csg_inverse is created. Inside the /bin-directory. I can only see

Re: [votca] csg_boltzmann question and tabulated potential file from it

Dear Christoph Junghans, Can I use csg_inverse for getting bonded and non-bonded potentials instead? In the ibi and ibi_bonded of hexane example, it looks like csg_inverse needs settings.xml if bonded and non-bonded target distributions exist. I ran ./run in the ibi and ibi_bonded