Hi All,
Someone just posted to the AMBER list that they can't find water.in in
$AMBERHOME/dat/leap/prep/
even though the manual states it should be there.
Are these prep files still used? Or is everything read out of the lib
directory?
I assume the manual should reference solvents.lib although it also
references things like tip3pbox.off which is there although is
supserceded??? by solvents.lib.
Does anyone have suggestions on how we should update the manual here?
And should we consider cleaning up the dat directories since there appears
to be quite a bit of duplication.
Note the AMBER 10 Tools manual has the same error at the bottom of page 24.
All the best
Ross
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|\oss Walker
| Assistant Research Professor |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
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Received on Fri Apr 18 2008 - 21:12:34 PDT
