Re: amber-developers: [Fwd: imposing bond/angle/dih in amber]

From: David A. Case <case.scripps.edu>
Date: Fri, 11 Aug 2006 18:11:10 -0700

On Fri, Aug 11, 2006, Piotr Cieplak wrote:
>
>
> impose aa {167 168} { CH3 C N CA 180.0 }
>
> but I am getting the following error message:
>
> impose: Invalid internal in list

Just a guess: do you really have atoms named "CH3" in residues 167 and 168?
That would not be a standard atom name for a ordinary protein.

....dac
Received on Sun Aug 13 2006 - 06:07:18 PDT
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