Hi Lachele,
The prmtop file is supposed to be extensible since AMBER v7. The fields can
appear in any order and it is possible to define new fields without breaking
the prmtop file. Thus you should not need to worry about the ordering. That
said there may be some old tools around that people have written where they
have assumed that the prmtop file always has a specific order and that
specific fields have certain formats but I think these are in the minority.
Good luck,
Ross
> -----Original Message-----
> From: owner-amber.scripps.edu [mailto:owner-amber.scripps.edu] On Behalf
> Of Lachele Foley (Lists)
> Sent: Tuesday, April 29, 2008 8:07 AM
> To: amber.scripps.edu
> Subject: AMBER: prmtop spec trivia
>
> Do Amber programs expect the info to be in the order listed on the
> prmtop file spec page (http://ambermd.org/formats.html#topology) It
> doesn't really say on the file spec page. I don't think I've ever
> seen an alternately ordered file, but the file format implies the
> possibility.
>
> I'm writing a function to read prmtop information. I'll write it to
> read the sections regardless of their order. But, I want to know if I
> should print a warning or make sure files are written back out in a
> certain order, etc.
>
> --
> :-) Lachele
> Lachele Foley
> CCRC/UGA
> 2-0263
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Apr 30 2008 - 06:07:48 PDT
