Re: [AMBER] unexpected "vlimit exceeded for step" error

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Wed, 23 Jun 2010 10:02:36 -0700

> It fails at step 121 after 0.121 ps.

So it fails at the same step whether you are warming it (too) quickly
or slowly in the original case. That's a novel bug signature. It would
be interesting to see if it failed at the same step if just running
1K dynamics.


AMBER mailing list
Received on Wed Jun 23 2010 - 10:30:03 PDT
Custom Search