Re: [AMBER] The atom number exceeds the MAXATOM, reallocate memory Segmentation fault (core dumped)

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Wed, 14 Jul 2010 11:27:04 -0700

All atoms within a residue must be named uniquely, so if you have
1200 atoms in your tube, you will need 1200 unique names. Since the
pdb atom name format is limited, I suggest using letters rather than
numbers (since there are [alphabet * 2 + 10] possibilities for each
letter), e.g. instead of C1200, CZZ1.

> ATOM 1 C UNK 1 6.779 0.000 -7.369 1.00 0.00
> ATOM 2 C UNK 1 6.631 1.410 -7.369 1.00 0.00
> ATOM 3 C UNK 1 6.447 2.095 -6.141 1.00 0.00

Bill

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Received on Wed Jul 14 2010 - 11:30:04 PDT
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