[gmx-users] Chain length of a polymer

Shan Jayasinghe shanjayasinghe2011 at gmail.com
Thu Nov 21 01:40:23 CET 2019


Dear Gromacs Users,

I have a polymer molecule in my MD simulation and I want to calculate how
chain length varies with simulation time. How can I do that with Gromacs
software? Can I use gmx distance? Do I need to create a group with backbone
atoms of the polymer chain in the index file for the calculation?
Appreciate your help.

Thank you.
-- 
Best Regards
Shan Jayasinghe


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