Tutorial-l Mailing List
From: Chris Malajczuk (c.malajczuk_at_postgrad.curtin.edu.au)
Date: Mon Dec 16 2013 - 02:00:24 CST
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Hi,
I have been working through the 'Residue-Based Coarse Graining using MARTINI Force Field in NAMD' tutorial with NAMD 2.9 on a linux cluster using a single node, but after running the CG simulation for about 1 million steps it crashes due to a "Bad global angle count". I have read about this error happening to others on the namd-l, but the only solution that has been offered is to check my angles to make sure that I haven't somehow added additional parameters between atoms which are far apart. I have done this but cannot see any problems with my configuration files. To make sure that it isn't an issue with my own config files, I have run the same simulation using only the pre-prepared configuration files that are given along with the tutorial files, and it still seems to crash after about a million steps. Any ideas?
Cheers in advance,
Chris
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