Metal-Organic Frameworks

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1

Hi,

i am new to LAMMPS and working on Metal-Organic Frameworks. Are there any guides or tutorials for these kind of structures? I worked on GROMACS before but got tired and frustrated and thought to give LAMMPS a try.

Cheers

Momin

2

Hi,

i am new to LAMMPS and working on Metal-Organic Frameworks. Are there
any guides or tutorials for these kind of structures? I worked on

LAMMPS is just an MD engine, so you won’t find much about specific applications.
you need to study publications and look at existing tools, books, or related online resources.
in LAMMPS, there is the USER-MOFF package included to support one particular force field for MOFs.
please read the associated publications and check out the details presented on the website that it links to.

GROMACS before but got tired and frustrated and thought to give LAMMPS a
try.

please keep in mind, that it is rarely the software itself that is the cause of frustration, but the lack of suitable background knowledge and competent tutoring. switching the software cannot solve that.

axel.