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Questions and answers => MD simulations => Topic started by: rkumar on February 22, 2025, 11:12:53 pm

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Title: Update of do_x3dna package
Post by: rkumar on February 22, 2025, 11:12:53 pm

Dear All,

I have updated the do_x3dna (https://do-x3dna.readthedocs.io/) package for GROMACS-2025. I have built binary executable of do_x3dna that can be downloaded and used without any compilation (https://do-x3dna.readthedocs.io/en/latest/install_do_x3dna.html#quick-installation). Most importantly, this binary package can be used with files generated by any version of GROMACS.

Thanks,
Dr. Rajendra Kumar
Associate Professor
NIPER, Mohali, India

Title: Re: Update of do_x3dna package
Post by: xiangjun on February 22, 2025, 11:23:27 pm

Hi Rajendra,

Thanks for the update to do_x3dna for GROMACS-2025. It is great that the "binary package can be used with files generated by any version of GROMACS". Over the years, I've received emails about applying 3DNA to MD simulations, and I know that your do_x3dna package is well received by the community.

Best regards,

Xiang-Jun

Funded by the NIH R24GM153869 grant on X3DNA-DSSR, an NIGMS National Resource for Structural Bioinformatics of Nucleic Acids

Created and maintained by Dr. Xiang-Jun Lu, Department of Biological Sciences, Columbia University