2013/12/10 Sergey Larin <[email protected]>: > Hello, everyone! > > I'm trying to start using VOTCA a polymer simulated in my group. First, I've > installed it and it seems to work. Then, I've created a mapping file and > ready to start with VOTCA itself. > > I tried to run csg_map for my simple system with a command taken from the > VOTCA manual: > csg_map.exe --top topol.tpr --trj traj.xtc --cg O-BAPB_8.xml --out > csg_out.gro > > The output of this command is the following > Reading file topol.tpr, VERSION 4.6.3 (single precision) > I have 570 beads in 1 molecules > I have 88 beads in 1 molecules for the coarsegraining > Reading frame 0 time 0.000 > writing coarse-grained trajectory to csg_out.gro > an error occurred: > output format not supported: csg_out.gro Uh, is this Windows? If so, Windows is not supported or at least completely untested.
Anyhow, the above pasted csg_map command should work. Which version of VOTCA is that? And could you test if the csg_map command in run.sh of spce/atomistic of csg-tutorials works. Cheers, Christoph > It seems that the topology was correctly translated. But what's wrong with > output format? What should I do additionaly to translate atomistic > trajectory into the coarsegrained one? > > Thanks for the help in advance. > > Sincerely, > Sergey > > > > -- > 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/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. For more options, visit https://groups.google.com/groups/opt_out.
