molfile package

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1

Hi Alex,
I'm having some trouble getting the molfile package to work. I have
built lammps (7-8-13) with the molfile package and I have vmd 1.9.1
installed. The lammps build was successful, although I did notice a
few warnings from reader_molfile.cpp and dump_molfile.cpp. If I try to
read a dcd file like this:

read_dump my.dcd 0 x y z box no format molfile dcd
/home/buckp01/vmd/lib/vmd/plugins/LINUX/molfile

lammps cannot find a suitable plugin.I've also tried copying the
dcdplugin.so into my working directory and removed the path from the
read_dump command. Still no luck. At this point I'm not sure what else
to try.

Thanks for your help,
Patrick

2

Hi Alex,
I'm having some trouble getting the molfile package to work. I have
built lammps (7-8-13) with the molfile package and I have vmd 1.9.1
installed. The lammps build was successful, although I did notice a
few warnings from reader_molfile.cpp and dump_molfile.cpp. If I try to
read a dcd file like this:

read_dump my.dcd 0 x y z box no format molfile dcd
/home/buckp01/vmd/lib/vmd/plugins/LINUX/molfile

lammps cannot find a suitable plugin.I've also tried copying the
dcdplugin.so into my working directory and removed the path from the
read_dump command. Still no luck. At this point I'm not sure what else
to try.

is your LAMMPS executable 32-bit or 64-bit?
the path to the plugin directory indicates that your VMD distribution is 32-bit.

axel.

3

That was it. I installed a 64 bit VMD. All fixed now.
Thanks!
Patrick

4

That was it. I installed a 64 bit VMD. All fixed now.

excellent. nice to know that somebody else got it to work.

ciao,
    axel.