[ghemical-devel] Tripos 5.2

[Donald Ephraim Curtis]

Tommi,

Is there a elegant way to add silicon parameters for the Tripos engine?
I know there are a few other atoms that are just using "approximations"
basically Hydrogen values.

-Donald

----- Forwarded message from Sean Nedd <sean at si.fi.ameslab.gov> -----
We have been using the Tripos5.2 method form some MM calculations  
with an emphasis on Siloxane systems. I have been getting erroneous  
bond lengths for Si-C and Si-O bonds as can be seen in the input file  
attached. 
----- End forwarded message -----