[lammps-users] amber2lammps tool

Dear Lammps Users,

I am using amber2lammps tools to convert my topology and coordinate files generated using AMBER .
The documentation says the directory has its own makefile , instead it contains only the python script .
Since I tried its usgae as the following :

amber2lammps.py < *.top >in.lmp

It does not work out .
Can anyone help me in where I am going wrong.I am a new user of lammps and will appreciate your help.

Thanks John

Dear Lammps Users,

I am using amber2lammps tools to convert my topology and coordinate files
generated using AMBER .
The documentation says the directory has its own makefile , instead it
contains only the python script .

python scripts don't need to be compiled, so not makefile needed.

you should read through the README _in_ the directory.

Since I tried its usgae as the following :

amber2lammps.py < *.top >in.lmp

i don't think that this will work.

It does not work out .

"it doesn't work" is the most useless comment possible.

Can anyone help me in where I am going wrong.I am a new user of lammps and
will appreciate your help.

the code in the tools directory, may not be exactly directed
at beginners of the subject, but are often tools written by people
that know what they are doing for others that know what they are
doing to make routine tasks easier. to expect that any of those
will work easily without some poking around is stretching your luck.

a quick read through the file in question and the readme shows
that the tools expects .top and .crd files with matching basenames
for each amber "project" and will create a lammps data file from it.
you then have to write a corresponding input file based on the
suggestions in the README file.

i recommend that you rather start with trying to understand and
manipulate some of the existing examples in the lammps distribution
and build a few inputs like those for yourself and overall get familiar
with LAMMPS before moving on to using a converter tool. otherwise
you may be easily getting into a situation where you are running
a bad input, but don't notice it.

cheers,
     axel.