Dear Christof, I am running the 1.2.4. I should update the most recent one. thanks for your precious work and your help all the best Marco
On Wednesday, October 21, 2015 at 6:28:59 PM UTC+2, Christoph Junghans wrote: > > 2015-10-21 6:23 GMT-06:00 marco bernabei <[email protected] > <javascript:>>: > > Dear all, > > I have a problem csg_call convert_potential gromacs. > > I still do not understand what is missing in my .xml file > > I am using the one from the manual > > <cg> > > <inverse> > > <gromacs> > > <pot_max>1e8</pot_max> > > <table_end>4.6</table_end> > > <table_bins>0.002</table_bins> > > </gromacs> > > </inverse> > > </cg> > > with the following command line > > csg_call --options table.xml --ia-type non-bonded convert_potential > > gromacs pot_resampled.xvg pot_table.xvg > > > > I got the error > > csg_get_property: Could not find csg_property > That just means the csg_property executable is not in your path! > > > > > However If omit the --options and use XVG instead of gromacs I got the > table > > in the xvg Gromacs format. > > csg_call --ia-type non-bonded convert_potential XVG pot_resampled.xvg > > pot_table.xvg > > > > Could you please explain what is happening? > I am not sure, which VOTCA version you are running, but if I run that > command in votca-csg-1.3_rc1, I get the following error > ERROR: source_wrapper: Could not get any script from tags > 'convert_potential' 'XVG' > > Which is expected as there is no 'convert_potential' 'XVG' script > coming with the standard version of votca. > > Christoph > > > Thank you very much! > > All the best > > Marco > > > > -- > > You received this message because you are subscribed to the Google > Groups > > "votca" group. > > To unsubscribe from this group and stop receiving emails from it, send > an > > email to [email protected] <javascript:>. > > To post to this group, send email to [email protected] > <javascript:>. > > Visit this group at http://groups.google.com/group/votca. > > For more options, visit https://groups.google.com/d/optout. > > > > -- > Christoph Junghans > Web: http://www.compphys.de > -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To post to this group, send email to [email protected]. Visit this group at http://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
