Whats the name of this software? I do not have this variable defined...
On Wednesday, May 29, 2013 4:26:54 PM UTC+1, Christoph Junghans wrote: > > 2013/5/29 <[email protected] <javascript:>>: > > Dear users, > > > > i am using Votca and i wish to create CG structure based on my atomistic > > protein chain - one bead per residue, all the same type. Residues from 1 > to > > 30 in xml A1 - A30 of type A. In atomistic topology my molecule type is > > Protein_chain_X > > > > I run: > > > > csg_map --top em.tpr --trj Proc_ready.gro --cg mapping_1bead.xml --out > > cg_out.gro > > > > in xml with <type>Protein_chain_X<type> > > > > <cg_molecule> > > <name>PRO</name> > > <ident>Protein_chain_X</ident> > > <type>Protein_chain_X<type> > > <topology> > > <cg_beads> > > <cg_bead> > > <name>A1</name> > > <type>A</type> > > <symmetry>1</symmetry> > > <mapping>A</mapping> > > <beads> 1:MET:N 1:MET:H1 1:MET:H2 1:MET:H3 1:MET:CA 1:MET:HA > > 1:MET:CB 1:MET:HB1 1:MET:HB2 1:MET:CG 1:MET:HG1 b1:MET:HG2 1:MET:SD > 1:MET:CE > > 1:MET:HE1 1:MET:HE2 1:MET:HE3 1:MET:C 1:MET:O </beads> > > </cg_bead> > > ..... > > etc. > > > > > > mapping_1bead.xml: Parse error at line 692 > > mismatched tag > > line 692 > > > > Where line 692 is the last line of the script: </cg_molecule> > > > > Without <type>Protein_chain_X<type> > There is a backslash missing in the closing tags - </type>. > > Sometimes it helps to run: > $xmlwf mapping_1bead.xml > to find formatting errors. > > Cheers, > > Christoph > > > > Error: invaid type: wrong type in > > cg_molecule.topology.cg_beads.cg_bead.symmetry > > > > Would you please advise? > > > > Steven > > > > -- > > 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?hl=en. > > For more options, visit https://groups.google.com/groups/opt_out. > > > > > > > > -- > 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?hl=en. For more options, visit https://groups.google.com/groups/opt_out.
