On Wed, Jun 17, 2009, Karl Kirschner wrote:
>
> You are right, that CG is labled as an sp2-hybridized atom. However, I checked
> frcmod.ff03 does not have any CG atom type (same is true for parm99.dat,
> which is loaded with ff03). So, I am not sure why this is included in
> leaprc.ff03. Maybe someone else can comment who knows better.
This has been discussed several times before. I've gone ahead and removed
all references to atom type "CG" except for the GLYCAM ones. If anyone thinks
this should be un-done, please let me know.
...dac
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Received on Mon Jul 06 2009 - 09:53:20 PDT
