On Wed, Jul 3, 2019 at 1:17 AM Souvik Chakraborty <[email protected]> wrote: > > Dear users, > > I have found the errors (snaps are attached herewith) while performing > 'csg_call' to generate table_*.xvg files. I can see input_*.pot files have > been generated fine. > > > The errors appeared during this command: > > csg_call --ia-type non-bonded --ia-name A-A --options fmatch.xml > convert_potential gromacs --clean input_A-A.pot table_A_A.xvg > Have look at the end of the inverse.log file, from the screenshot it seems your xml files misses the cg.inverse.program option and the cg.program block option, see: https://github.com/votca/csg-tutorials/blob/master/spce/force_matching/fmatch.xml#L29
Christoph > > Looking for any help. > > Thanks in advance! > > Regards, > > Souvik > > > -- > 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 https://groups.google.com/group/votca. > To view this discussion on the web visit > https://groups.google.com/d/msgid/votca/7694eb48-2535-4701-b048-54e66401c06c%40googlegroups.com. > 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 https://groups.google.com/group/votca. To view this discussion on the web visit https://groups.google.com/d/msgid/votca/CAHG27e4xXfXg0RJ_pJWxM5HSXvCDi2Gsdz-hF9Ru7FkwPXADfg%40mail.gmail.com. For more options, visit https://groups.google.com/d/optout.
