AMBER Archive (2007)

Subject: AMBER: EXCEEDED MAXLESADJ in sander.LES.MPI (amber9)

From: Alessandro Nascimento (al.s.nascimento_at_gmail.com)
Date: Sat Nov 17 2007 - 15:24:58 CST

Hi Amber users...

I'm trying to simulate a system with 4 copies of an entire helix ( 31
residues ).

However, i get the message "EXCEEDED MAXLESADJ" when trying to
simulate the system in Amber9.

Is it enough to increase this variable in src/sander/les.h or I shoud
not change this?

thanks in advance,

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