<< Tool to create NAMD input for non biological system >>

From: I. Camps (icamps_at_gmail.com)
Date: Wed Mar 02 2022 - 19:43:55 CST


I want to run molecular dynamics simulations for non biological systems
like carbon nanotubes (pristine and functionalized with -OH and/or -COOH)
interacting with small molecules.

Is there a way to generate the NAMD input files?

I already tried VMD and CHARMM-GUI unsuccessfully.

Best regards,


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