AMBER Archive (2009)
Subject: RE: [AMBER] addles - neb error
From: balaji nagarajan (balaji_sethu_at_hotmail.com)
Date: Wed Dec 16 2009 - 21:20:22 CST
Dear Amber !
I am still having problem in generating the neb.prmtop and neb.inpcrd files ,
I went to AMBERHOME/src/addles/SIZE.h
and i changed the values of
MAXBND , MAXANG , MAXDIH,
as said in the previous posts in archive
i did make clean
and recompiled , as make
when i run till i get the same error !
what else have to be done
I would like to know is it possible to do it for the system I have
thanks in advance
> Date: Wed, 16 Dec 2009 16:01:20 -0500
> From: case_at_biomaps.rutgers.edu
> To: amber_at_ambermd.org
> Subject: Re: [AMBER] addles - neb error
> On Wed, Dec 16, 2009, balaji nagarajan wrote:
> > I am using amber 9 ,
> > here with i have set the input and output files ,
> > I dont know what the error is ,
> The end of the addles output is this:
> finished creating LES subspace
> Checking topology sizes against compiled limits
> exceeded MAXANG in SIZE.BLOCK.
> MAXANG = 8000
> ntheta = 8328
> Change SIZE.BLOCK and recompile.
> Did you try what is suggested above?
> (Maybe people with more experience with addles or neb can chime in here...)
> AMBER mailing list
Windows 7: Simplify what you do everyday. Find the right PC for you.
AMBER mailing list