AMBER Archive (2005)

Subject: AMBER: system size limit

From: Guanglei Cui (cuigl_at_csb.sunysb.edu)
Date: Sun Jan 23 2005 - 23:54:06 CST


Dear AMBER Users,

I have a question about the upper limit of system size that sander8 can
handle. Is it possible to model the size of a few hundred thousands of
atoms? I tried the system on two different hardware setups. On Lemieux,
it says "error: EXCLUDED_ATOMS_LIST not found in parm file". On a local
cluster, it goes slightly further, but generates no more output after
reading group definition in a few hours (ntpr = 50) ... Your input is
highly appreciated.

Guanglei
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu