Generating lammps data file by amber force field

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1

Dear all,

How can I generate lammps data file by amber force field? Does amber2lmp tool work properly? If so, how can I use it?

Regards,

Mina

2

Dear all,

How can I generate lammps data file by amber force field?

there are multiple ways. you can build your system topology in a
generic fashion, assign atom types, partial changes and set force
field parameters accordingly.
or you can use the amber tool chain with using xLeap or tLeap to type
atoms and build the topology and then convert the resulting topology
and coordinates to a LAMMPS data file.

Does amber2lmp tool work properly?

please make some (simple) tests and compare to running pmemd or sander.

If so, how can I use it?

please study the associated README file and the comments in the source code.

as a more general alternative to converting topology and force field
data, you may want to check out InterMol or ParmEd.

at any rate, you will have to learn how the amber force field
functions and what rules and requirements it has and how to build a
suitable (and correct!) topology/parameter file for Amber before even
considering to convert it. TANSTAAFL!!

axel.