Hey Everybody,
I was trying to rerun a simulation via:
rerun trajectory.dcd dump x y z box no format molfile dcd
and got the Error:
No suitable molfile plugin found (…/reader_molfile.cpp:88)
I also get the Error for .xtc files. All files are created by LAMMPS e.g. “dump 1 all dcd 100 test.dcd”
So it seems that for writing out MOLFILE works.
I have compiled the 15. May 2015 version of LAMMPS and the VMD-1.9.1 version.
Also i have recompiled LAMMPS with the VMD-1.9.2 version.
Changed molfile_SYSINC = to molfile_SYSINC = /home/micha/progs/lib/vmd/plugins/include
added -Ldir to molfile_SYSPATH = -Ldir
Nothing helps to get rid of the error. VMD is 64bit (LAMMPS should be 64 bit too, i guess)
Please help me. I have no clue what i"m doing wrong (beside of using dcd files o0), because it seems to work for writing out dcd.
addition:
i have also problems to write out dcd with the molfile command:
dump 5 all molfile 100 test1.dcd format dcd
No suitable molfile plugin found (…/dump_molfile.cpp:105)
so the problem seems to be finding the molfile files.
but if there is a way to dump dcd without molfile (or at least not specify it in the command, which i used) can i rerun it with some other commands then “… format molfile dcd” ?
Best Regards
Micha