How to generate conf.dat file?

sangramkadam / chromatin_coarse_graining

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How to generate conf.dat file? #1

Open hanshanmengqi opened 6 months ago

hanshanmengqi commented 6 months ago

Hello @sangramkadam,

Thank you for such an amazing paper!

I'm new to the LAMMPS software. Could you please tell me how to generate the conf.dat file?

I want to build a 3D structure as you showed in the paper.

Thank you in advance. Han

sangramkadam commented 6 months ago

Hi @hanshanmengqi,

You can use software like VMD to generate the input files. See tutorial https://sites.google.com/site/akohlmey/software/topotools/tutorial-part-1?authuser=0

We used our own custom C codes to generate the input data files based on the rules described in the article. I have attached a basic version of the code that you can customize according to your needs. configuration.zip

Best, Sangram

hanshanmengqi commented 6 months ago

Hello @sangramkadam,

Thank you for your prompt response and help. I'm a little confused about the difference between input generated by VMD and input generated by custom C codes. Could you please clarify?

Best, Han