vas penu

I uploaded the file that i used with charmm force field for RNA. Running fine without issues. https://drive.google.com/file/d/1R3DajOODBxT621giw9RVkaNBgyMOtSWV/view?usp=share_link

attached pdb file here ! https://drive.google.com/file/d/1YWgrH4AyTHMP323EzXn5Ld2Gb0vxh5fP/view?usp=share_link

I tried using adaptive sampling as per your suggestions with the Amber force field and user-defined dihedrals for RNA. While I did not encounter any issues with the Charmm force...

Thanks for your reply. I attached zip folder as drive link and contain requested folders. https://drive.google.com/file/d/10qc_C5LH-ZkUXjA9WHbXkLK0knQv7S_G/view?usp=share_link Regards Vas

I have identified the problem. Upon building the build_amber, the segid was no longer present . That is causing conflict while defining the dihedrals in metric. To address this, I...

Looks like I can use amber force field . I have come across a resource provided by Dimitris's Group via the following link, which includes libraries, definitions, frcmod files, and...

I discovered force field parameters for Dimethyl Arginine (aSym, sym) under the names DA2 and 2MR, which can be found in the directory ~/lib/python3.10/site-packages/htmd/share/builder/amberfiles/ff-ptm/. However, I couldn't locate monomethyl arginine...

This is also resolved. You can close this ticket as well.