Re: [AMBER] Equilibration

From: <>
Date: Thu, 23 Nov 2017 12:00:54 +0530

Dear Bill,

I checked the RMS fittings and observed that there was a prominent
fluctuation in the RMSD of the terminal residues (19 residues). I have
attached images of the protein showing the terminal residue and the RMSD
fluctuation. Shall i continue with the production or do I have to
cap/remove the terminal and start over.

Best REgards,

AMBER mailing list

(image/png attachment: rmsd_fluctuations.png)

(image/png attachment: ACE.png)

Received on Wed Nov 22 2017 - 23:00:03 PST
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