2013/5/29 <[email protected]>: > 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]. > 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. > > -- 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.
