On Wed, Feb 04, 2015, 新生大侠 wrote:
> Dear AMBER users: I am an amber user in China, and I am getting the
> following error while running xleap in AMBER10
> :"FATAL: Atom .R<DT 2>.A<OP1 33> does not have a type.
> FATAL: Atom .R<DT 2>.A<OP2 34> does not have a type.
What leaprc file are you using? Since the release of Amber10, the PDB (and
the Amber programs) have changed the names of the oxygens bonded to P from
"O1P/O2P" (old nomenclature) to "OP1/OP2" (new nomenclature). I'm guessing
(based on limited evidence) that you are using a "modern" PDB file but an
"old" library.
I recommend that you update to AmberTools14 and see if that helps. I big
added plus is that you will also get access to much better force fields for
nucleic acids: Amber10 was released in 2008, and a lot has changed since then.
...dac
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Received on Wed Feb 04 2015 - 05:30:04 PST
