Two corrections to the nab portion of the AmberTools13 docs are needed:
1)
The manual declares newton() to return float on page 509. However, it
returns an integer.
Here is definition of newton in AmberTools/src/sff/newton.c:
INT_T newton(REAL_T x[], INT_T * n, REAL_T * f,.....
2)
getpdb_prm takes 4 parameters. Thus, line 4 of the sample program on
page 511
m = getpdb_prm( "mymolecule.pdb" );
fails to compile (thankfully) with this message:
myprog.c(35): error #165: too few arguments in function call
m = getpdb_prm( STEMP( __st0001__, "mymolecule.pdb" ) );
Best
Chris
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Received on Tue Jun 11 2013 - 14:00:04 PDT
