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
chosen .

thanks in advance

regards
balaji

> 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...)
>
> ...dac
>
>
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