[AMBER] RMSD (non mass-weighted) as collective variable in Amber-18

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From: Madhur Aggarwal <madhur.aggarwal.research.iiit.ac.in>
Date: Sun, 18 Oct 2020 21:20:09 +0000

Hi all,

I want to perform Umbrella Sampling simulations using Root Mean Square Deviation (RMSD) as a collective variable. I wanted to know whether it is possible to use normal, non-mass-weighted RMSD as a collective variable in Amber-18 since I only found Multi-RMSD (mass-weighted RMSD) mentioned in the docs.

Thanks and regards,
Madhur Aggarwal
IIIT Hyderabad

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Received on Sun Oct 18 2020 - 14:30:02 PDT