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Author Topic: Update of do_x3dna package  (Read 654 times)

Offline rkumar

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Update of do_x3dna package
« on: February 22, 2025, 11:12:53 pm »
Dear All,

I have updated the do_x3dna package for GROMACS-2025. I have built binary executable of do_x3dna that can be downloaded and used without any compilation. 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
« Last Edit: February 23, 2025, 12:27:02 am by rkumar »

Offline xiangjun

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Re: Update of do_x3dna package
« Reply #1 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