AMBER Archive (2008)

Subject: AMBER: prmtop spec trivia

From: Lachele Foley (Lists) (lf.list_at_gmail.com)
Date: Tue Apr 29 2008 - 10:07:29 CDT

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
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