AMBER Archive (2005)

Subject: Re: AMBER: huge bond distances in new residue

From: David A. Case (case_at_scripps.edu)
Date: Sat Feb 05 2005 - 12:57:37 CST


On Fri, Feb 04, 2005, Stern, Julie wrote:
>
> WARNING: There is a bond of 26465.000304 angstroms between:
> ------- .R<ASC 1>.A<C7 11> and .R<ABC 1>.A<HC21 41>
> WARNING: There is a bond of 37045.000062 angstroms between:
> ------- .R<ASC 1>.A<C6 10> and .R<ABC 1>.A<C7 11>
> WARNING: There is a bond of 47481.000388 angstroms between:
> ------- .R<ASC 1>.A<C6 10> and .R<ABC 1>.A<HC22 42>
> WARNING: There is a bond of 73219.000110 angstroms between:
> ------- .R<ASC 1>.A<C6 10> and .R<ABC 1>.A<HC23 43>

Are there supposed to be bonds betwee the above atoms? (Doesn't look like
it from their names -- the system is bonding a carbon atom in one residue to
an H atom in a different residue, if I understand the message.)

Use the desc command to get the coordinates. You will have to carefully track
back what you did to see where the coordinates are coming from.

...dac

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