input file for LAMMPS

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1

Hi,

I am new user of LAMMPS MD simulation software, two days before only I
have installed its windows version and I am using VMD to visualize the
dump output file. I want to know that is there any free graphical user
interface software is there using which I can create moleule of my
choice and then use it as input in LAMMPS for MD simulation.

Thanks,
Amrita Kumari
Research Scholar
IISER Mohali
INDIA

2

Hi,

I am new user of LAMMPS MD simulation software, two days before only I
have installed its windows version and I am using VMD to visualize the
dump output file. I want to know that is there any free graphical user
interface software is there using which I can create moleule of my
choice and then use it as input in LAMMPS for MD simulation.

No.

3

"molecule of my choice" is pretty broad. You can look
in the LAMMPS tools dir and see program that do
things like convert a CHARMM input (which can be a PDB
file which can have molecule(s) in it), to LAMMPS format.
Other tools actually build simple systems, like polymer chains.

Steve