Re: [votca] problems running hexane ibi

2017-08-14 3:05 GMT-06:00 : > Hi Christoph, thanks a lot, > the installation had actually problems. The administrator of the cluster > reinstalled and now it is working :) > S. Thanks for the update. > > On Friday, 11 August 2017 20:35:57 UTC+2, Christoph Junghans

[votca] problems running hexane ibi

Hello, I am new in Votca. I want to use IBI (csg_inverse --options settings.xml) using the hexane tutorial files (both: ibi_all and also ibi_nonbonded), and everything goes well, starting with the step_000 and then, in the step_001 prepares everything to run the CG simulations with gromacs but,