Dear John
And I forgot to mention that you need to remove the gumph at the top of a
pdb file that contains all the brookhaven information. Also, if you have
more than one molecule in the pdb file it's important to have a "TER"
statement separating each molecule in the pdb file. This ensures that leap
treats them separately and avoids making them "bond" together when the
file's loaded.
Best
Hayden
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Received on Wed May 02 2007 - 06:07:18 PDT
