On Sat, Mar 13, 2010, whimsica.aol.com wrote:
>
> My question is what do the numbers correspond to in this line from the nuc94.in file?
> 6 C5' CT M 5 4 3 1.44 119.00 -39.22 -0.0069
This is prep input file,
http://ambermd.org/doc/prep.html
>
> and what do the numbers correspond to in this parm99.dat line
> C -CT 317.0 1.522 JCC,7,(1986),230; AA
This is a "parm*.dat" file,
http://ambermd.org/formats.html#parm.dat
> How do I use the
> http://ambermd.org/formats.html
>
> to interpret these files? There are 100's of formats and no lines that say what format it is in the parm99 file or any other.
The are 6 types of formats (not 100's) at the page above. I agree that some
understanding of Amber is required to know which format a particular file
belongs to.
....dac
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Received on Sat Mar 13 2010 - 11:30:02 PST
