Hi!
According to the AmberTools docs (p35) something like 'ERROR: Flag "TITLE" not
found in PARM file' means that my SANDER will likely not work with my CHAMBER
generated prmtop.
However I have Amber10 and patched it with the latest bugfix.all (as of today,
2010-01-12) and keep seeing this error.
Is this just a "minor" bug (CTITLE is not processed correctly but changing
CTITLE to TITLE gives correct results) or is it not possible to use CHAMBER
(1.3) with AMBER10? (bugfix.26 has me believe otherwise and grepping for
"CTITLE" revealed an occurence in the patched source-code)
Cheers,
Thomas
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Received on Tue Jan 12 2010 - 02:30:02 PST
