> I think(?) that all of the stuff Ross picked up on is unique
> to parm99.dat:
This appears to be true but even so I think we should look to permanently
solve the problem in some way. Either by somehow working out how to fix
LEaP
(remember there is the unexplained problem I get with NMA as well) or by
removing all the wild cards and just having explicit torsion terms. I am
in
favour of the last option as then it is much clearer what is going on,
what
terms are defined and what aren't etc.
Although there may be good reasons for keeping the wildcards that I am
missing.
All the best
Ross
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|\oss Walker
| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
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Received on Wed Apr 05 2006 - 23:49:55 PDT
