Thank you for your reply. I did turn it off, as error message suggested also.
V On Aug 16, 10:39 pm, Christoph Junghans <jungh...@votca.org> wrote: > Hi Valentina, > > this is really a bug, we did experienced it so far as it only happens > in some cases. > I fixed it in the code: > <http://code.google.com/p/votca/source/detail?r=dbe4f0a284&repo=csg> > > If you have built votca with the build.sh you can just update or just > disable the check by > setting cg.inverse.gromacs.temp_check to 'no' and wait for the next release. > > Cheers, > > Christoph > > 2011/8/16 Valentina <valentina_erast...@yahoo.co.uk>: > > > > > In my settings file I have > > <!-- 250K*0.00831451 gromacs units --> > > <kBT>2.0786275</kBT> > > > in the opinion of my calculator 250*0.00831451 is 2.0786275, > > > but in the opinion of cg.inverse it is something else, so hence an > > error: > > "...cg.inverse.kBT (2.0786275) in xml seetings file differs from > > 0.00831451*ref_t (250)..." > > > Am I missing something out? > > > Thanks, > > V > > > -- > > You received this message because you are subscribed to the Google Groups > > "votca" group. > > To post to this group, send email to votca@googlegroups.com. > > To unsubscribe from this group, send email to > > votca+unsubscr...@googlegroups.com. > > For more options, visit this group > > athttp://groups.google.com/group/votca?hl=en. > > -- > Dr. Christoph Junghans > Votca Core Developer > > Web:http://www.votca.org -- You received this message because you are subscribed to the Google Groups "votca" group. To post to this group, send email to votca@googlegroups.com. To unsubscribe from this group, send email to votca+unsubscr...@googlegroups.com. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
