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  • rjt
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3 years 7 months ago - 3 years 7 months ago #8723 by rjt
Any way to create .top file from .gro was created by rjt
Hi,

I have a martini cg .pdb file, and I am wondering if there is any way (maybe using pdb2gmx, or martinize) to create the corresponding .top and .itp files from it.

I do not want to create the .top and .itp files using the atomistic .pdb file for certain reasons.

Thanks!
Last edit: 3 years 7 months ago by rjt.

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3 years 7 months ago #8724 by vainikka
Replied by vainikka on topic Any way to create .top file from .gro
Hi,

If it only were that simple. If you currently don't have any itp files, you can follow the tutorial for parameterizing a new small molecule. If you're working with a larger molecule (protein etc.), you can use martinize2.

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