Hi, Christoph! среда, 11 декабря 2013 г., 4:54:06 UTC+4 пользователь Christoph Junghans написал: > > 2013/12/10 Sergey Larin <[email protected] <javascript:>>: > > 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. > > Yes, it is Windows 7 64-bit and cygwin. It seems that there is some problems due to incompatibility in the dynamic loading libraries mechanism. Anyway, I've installed VOTCA on my second OS (fortunately, it's Linux). Everything works fine there. Now, I'm trying to understand what I have to do after mapping to obtain all potentials required to start CG simulations. Hope it will not take a long time. Sincerely, Sergey
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