Re: AMBER: Failed sander runs for large systems

From: David A. Case <>
Date: Sat, 30 Jul 2005 09:57:14 -0700

On Sat, Jul 30, 2005, Guanglei Cui wrote:
> I think I know the reason, but correct me if I'm wrong. I have run big
> systems (the biggest is about 1.9 million, coarse grain model) with
> modified sander8, and come across the same problem (slightly different
> flags reported). The problem is in amber8/src/lib/nxtsec.f, which limits
> the max number of lines (I think it's 9999999) that your topology file
> can have.

These limits were all removed in bugfix.11. Make sure you have applied that


The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Sat Jul 30 2005 - 18:52:59 PDT
Custom Search