Sharmi Mazumder

Coarse-grained modeling, also known as coarse-grained models, aims to simulate the behavior of complex systems by employing a coarse-grained (simplified) representation. Coarse-grained models are commonly used for molecular modeling of biomolecules at different granularity levels. There has been a wide range of coarse-grained models proposed.

Have a look:

1. https://www.researchgate.net/post/How-to-convert-a-coarse-grained-model-of-material-studio-into-xyz-format

2. https://matsci.org/t/how-to-add-side-chains-to-the-data-file/23960

Dear Sharmi Mazumder ,

Coarse-grained modeling, coarse-grained models, aim at simulating the behaviour of complex systems using their coarse-grained (simplified) representation.

https://en.wikipedia.org/wiki/Coarse-grained_modeling

Regards,

Shafagat

Dear Sharmi Mazumder ,

I haven't used Materials studio before but it is relatively straightforward to write a LAMMPS readable input configuration as long as you can extract your coordinates. If so, you can write a python script to write the preamble and the subsequent bond/angle/dihedral information if and where necessary?

I can share the python script written by me that I use to generate LAMMPS readable input files too.

Shaswat Mohanty Thank you.