Hi Amber mailing list,
I am trying to work with my protein using Leap but when I try to create the
prmtop and inpcrd files, I get the message
........FATAL: Atom .R<ARG 361>.A<HB1 25> does not have a type.
FATAL: Atom .R<ARG 361>.A<HG1 26> does not have a type.
FATAL: Atom .R<ARG 361>.A<HD1 27> does not have a type.
FATAL: Atom .R<ASN 364>.A<HB1 15> does not have a type.........
I am using the ff99SB forcefield, and I used the saveamberparm command. Any
advice on getting Leap to work with my file? I am wondering if it might be
a formatting issue. Here is a line from the pdb file:
ATOM 148 3HB ALA P 9 7.556 2.017 13.088 1.00 0.00
Thanks,
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Received on Sun Mar 13 2011 - 11:00:02 PDT
