Hi Amber list,
I am trying to work with my protein using Leap but when I try to create the
top and crd files, I get the message
> saveamberparm var 40_240.top 40_240.crd
Checking Unit.
WARNING: There is a bond of 38.732284 angstroms between:
------- .R<ALA 81>.A<C 9> and .R<THR 82>.A<N 1>
FATAL: Atom .R<ALA 81>.A<OXT 11> does not have a type.
Failed to generate parameters
Parameter file was not saved.
I am using the ff99SB forcefield, and I used the saveamberparm command. Any
advice on getting Leap to work with my file?
Here is the file attached
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Received on Thu Mar 01 2012 - 23:00:03 PST
