Re: SMD Constant velocity pulling

From: Allen, Caley R (
Date: Wed Jul 27 2016 - 13:38:19 CDT


I think this has been addressed before.

Try and read the following thread and see if it answers your question.

Cheers and good luck.

From: <> on behalf of Roshan Shrestha <>
Sent: Wednesday, July 27, 2016 1:59:49 PM
Subject: namd-l: SMD Constant velocity pulling

Hello everyone,
While running SMD constant velocity pulling of Ubiquitin, my simulation stopped abruptly with following error:
Error: Constraint failure in RATTLE algorithm for atom 12261
Error: Constraint failure ;simulation has become unstable
Why these errors showed up and how to eliminate them?

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