AMBER Archive (2007)

Subject: Re: AMBER: protonate

From: David A. Case (case_at_scripps.edu)
Date: Wed May 16 2007 - 11:32:37 CDT

On Wed, May 16, 2007, Christopher Gaughan wrote:
>
> I am using the protonate command to put some missing hydrogens into a pdb
> file. When I do so, an error message is returned:
>
> chrisg_at_new_mphase:~$ protonate -i g1_oct_ter_noprot.pdb >
> g1_oct_ter_prot.pdb
> 7000 atoms read from file
> This version only dimensioned for 7000 atoms!
>
> Is there any way I can increase the # of atoms that can be accommodated?

Change MAXAT in protonate.h and recompile. (Or, upgrade to Amber 9).

...dac

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