Hi lammps users. I am using topo tools to create lammps input data file. But unfortunately it does not allow to give the path of the file .
writelammpsdata []
I am not able to give the path in the above command. Any suggestions ?
Thanks
Arun
Hi lammps users. I am using topo tools to create lammps input data file. But
unfortunately it does not allow to give the path of the file .writelammpsdata <file name> [<atom style>]
I am not able to give the path in the above command. Any suggestions ?
huh?? why not? you are not making any sense. please look at the tutorials.
the line above is just copied from the help. nobody can give you
advice on that. at the _very_ _least_ you have to provide what you
typed and what the error message is.
axel.
dear arun,
some general word of advice. it appears that you are not very familiar
with the various tasks that are necessary to get started with using
LAMMPS and that you are easily confused by the (shorthand) conventions
used to document various steps.
you will not be able to resolve this with some e-mails and asking
questions in the way that you have done so far. you will mostly get
increasingly frustrated yourself and will exhaust the goodwill of
people that are trying to help you.
please take a step back and talk to your adviser and your colleagues.
let *them* take you through the basic steps of what it means to set up
and run an MD simulation. and also do *not* do this but trying to
build an input for your research project right away. this is almost
always a big mistake, but start with something simple. the less
pre-existing experience you have, the simpler the example you should
start with, and then build your expertise in (small) steps. building a
complex input is not a one-and-done procedure that just magically will
work, if you keep pounding on it for long enough, but something that
needs to be "developed" and where you first have to understand each
piece individually. ...and *do* talk to your colleagues. there are
multiple LAMMPS users at your school and also a few blocks away at
penn and elsewhere at multiple schools in the greater philadelphia
area. you will learn orders of magnitudes more through a personal
consulting session.
HTH,
axel.