AMBER Archive (2007)

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

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Sat Nov 17 2007 - 15:51:09 CST

yes increase it and recompile

On Nov 17, 2007 4:24 PM, Alessandro Nascimento <al.s.nascimento_at_gmail.com>
wrote:

> 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
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