Re: [votca] could not fetch table-extension from grompp.mdp - IBI

2013/7/10 s.neuman...@gmail.com: Thank you! Shall remove distributions and replace in my mxl file target into name.pot.in ? Or shall I just add to the list of files in xml that are copied? The target rdf (distribution != potential) stays the same, why would you change that? VOTCA always looks

Re: [votca] could not fetch table-extension from grompp.mdp - IBI

2013/7/10 s.neuman...@gmail.com: W dniu środa, 10 lipca 2013 15:12:58 UTC+1 użytkownik Christoph Junghans napisał: 2013/7/10 s.neu...@gmail.com: Thank you! Shall remove distributions and replace in my mxl file target into name.pot.in ? Or shall I just add to the list of files in xml

Re: [votca] could not fetch table-extension from grompp.mdp - IBI

2013/7/10 s.neuman...@gmail.com: On Wednesday, July 10, 2013 7:00:16 PM UTC+1, s.neu...@gmail.com wrote: Thank you. I sorted it out. Sorry, I have another question: I am running IBI on the cluster so I specified in my PBS script 16 cpus. When I run gromacs I always add mpiexec before