Hi All,
I'm not sure if we still ever use the prep files in
$AMBERHOME/dat/leap/prep/ however, there appears to be a typo in
all_nuc94.in. The bond connectivity for DC3 appears to be wrong.
The last line:
34 H3T HO M 30 25 8 0.96 114.97 180.00 0.4396
Should probably be:
34 H3T HO M 33 25 8 0.96 114.97 180.00 0.4396
It does not look like this typo affects all_nucleic94.lib so is likely
benign. However, I am wondering if anyone knows more about the prep files
and whether this really is benign (or even an error in the first place).
Should we update it in AMBER 9 and presumably AMBER 10?
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 Sun Mar 16 2008 - 06:07:41 PDT
