On Wed, Mar 11, 2009, Joe Krahn wrote:
> What are the rules for writing data in the PRMTOP file? Is it strictly
> limited to 80-columns? Is it OK to trim trailing blanks?
All existing prmtops (written by LEaP) have a maximum of 80 characters
per line (not counting the end of line character), but many lines are
less than 80 characters (i.e. trailing blanks have been truncated.)
It's hard to be sure about the "real" requirements of all programs that
read prmtop files, but my guess is that none would choke on short lines,
which occur all the time in existing prmtop files, and at various
places.
It looks to me like all data lines indeed have trailing blanks trimmed,
but that the "FLAG" and "FORMAT" lines still have trailing blanks in
them. I'd guess that truncating all trailing blanks would be fine.
...dac
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Received on Fri Mar 13 2009 - 01:13:59 PDT
