AMBER Archive (2007)

Subject: Re: AMBER: 31 integers in the first section of a prmtop file

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Wed Oct 03 2007 - 12:15:14 CDT

do you mean the "POINTERS" section? Amber 9?

sander/rdparm.f

it's numextra

On 10/3/07, David Cerutti <dcerutti_at_mccammon.ucsd.edu> wrote:
>
> I'm finding the file format key at
>
> http://amber.scripps.edu/formats.html
>
> very useful as I try to parse a prmtop file, but I don't know what to make
> of things when I find not 30 integers in the first field (where the number
> of atoms, number of atom types, number of bond types, etc. are found) but
> instead 31. What's the final integer in that case?
>
> Thanks!
>
> Dave
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