[AMBER] NAB example scripts in AmberTools (Amber 10)

From: Christopher Wassman <cwassman.uci.edu>
Date: Thu, 3 Dec 2009 01:08:37 -0800

More than 1 of the example NAB scripts (in $AMBERHOME/examples/nab)
as distributed with Amber10 have errors. One simply needs to compile
them and run them to see the various issues. Perhaps these have been
out of maintenance for some time?

Is NAB to be maintained in the future -- or is it falling by the wayside?

Anyway, for those interested below give corrections for one of the
more basic scripts called 'mme_typical_calling_sequence.nab'

Line 8 reads:
putpdb( mi, "temp.pdb" );

Line 8 should read:

Line 9 reads:
m = getpdb_prm( "temp.pdb", "leaprc.ff94", "", 0 );

Line 9 should read:
m = getpdb_prm( "temp.pdb", "leaprc.ff03", "", 0 );

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Received on Thu Dec 03 2009 - 01:30:02 PST
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