On Thu, Jun 21, 2012, Beale, John wrote:
>
> I am trying to create disulfide bonds in a protein model using
> xleap. All of the cysteine residues in the PDB file are named "CYX". I
> enter the following, for example:
>
> bond pro.155.SG pro.359.SG
>
> bond: Argument #1 is type String must be of type: [atom]
In addition to the suggestion made in another post, you can use the "desc"
command to give full details of how LEaP has interpreted your input. For
example, the command:
desc pro
will show you the numbering scheme that is being used. More generally, using
the "desc" and "list" commands can solve a lot of leap-input related problems.
....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jun 21 2012 - 05:00:03 PDT
