On Thu, Apr 14, 2011, Jason Swails wrote:
> Based on your test.pdb, I'm actually surprised that it ever worked. The
> hydrogens all have weird names that don't conform to the PDB standards
>
> (2HB, 3HB, 1HG2, etc.) where they should be (HB2, HB3, HG12, etc.)
These are not "weird" names, they just correspond to PDB version 2, rather
than the (current) version 3 standard. LEaP and other amber tools should
accept the older format just fine.
...dac
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Received on Thu Apr 14 2011 - 10:00:02 PDT
