AMBER Archive (2004)

Subject: Re: AMBER: Increasing MAXATOM in antechamber

From: Guanglei Cui (cuigl_at_csb.sunysb.edu)
Date: Sat Aug 21 2004 - 10:07:10 CDT

Hi,

I tried "grep -iw maxatom *.h". It shows MAXATOM is defined in define.h.
The default is 256.

Guanglei

Niko Jukarainen wrote:

> Hello.
>
> I'm dealing with large pdb-files (with amber8) and I came across a slight
> problem in antechamber when converting files. The program says that MAXATOM
> is too small and there is a memory allocation error.
>
> So, where is MAXATOM defined? I grepped the src/antechamber files and found
> a lot of stuff, but nothing seemed useful (just found some int MAXATOM etc
> stuff, but no explicit definitions). Do I have to modify other variables as
> well when changing the MAXTOM value?
>
> ---
> Niko Jukarainen, Researcher.
> University of Kuopio (Finland), Department of Chemistry.
> +358-17-163239, +358-44-5165148.
>
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