Thank Christoph. Actually the xmlwf did not give more information than the parse error in the last line.
I will take the opportunity to ask one more general question: Using the boltzmann inversion and iterative boltzmann inversion I wand to obtain the coarse-grained parameters (bonded and nonbonded) for a molecule, the molecule has 53 atom which I have mapped them on 5 beads (3 types) and 4 bonds and 3 angles. The all atom MD simulation for a system containing 307 molecules of my interest using gromacs and gromos force filed has also been completed. As a new user, I found the votca manual too scattered (sorry for saying that) to follow in order to obtain the CG parameters, I tried to understand the examples but still I am not able to fulfill the procedure. By considering the explained molecule I would be so appreciated if one could kindly itemize the steps I have to take to obtain all of the CG parameters of the molecule of my interest. Thank you very much. Best regards, Alex On Tuesday, March 27, 2018 at 4:55:51 PM UTC-4, Christoph Junghans wrote: > > On Tue, Mar 27, 2018 at 2:07 PM, Alexander Alexander > <[email protected] <javascript:>> wrote: > > > > Solved now, I was missing a backslash in </ident>. > > Anyway, thank you. > The expat package, provides a little tool called "xmlwf", which allows > you to check whether an xml file is well-formatted. > > Christoph > > > > Regards, > > Alex > > > > > > > > On Tuesday, March 27, 2018 at 2:20:10 PM UTC-4, Alexander Alexander > wrote: > >> > >> > >> Dear all, > >> > >> The "csg_dump --top case.tpr --cg case.xml" parses error at the last > line > >> of my case.xml with the mismatched tag, I can not find out where I am > doing > >> wrong, so, I would be so appreciated if you could have a look at my > attached > >> case.xml,.top,gro files and help me overcome the issue. > >> > >> Thanks > >> Best regards, > >> Alex > > > > -- > > 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 https://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 https://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
