Closed leeping closed 11 years ago
right now OpenMM.validate
is called during initialize
on line 510. Maybe we could just call it later -- during start
, and catch the trait error their?
I think that's a good idea. I didn't know it was allowed to do this, but I can move it there. :)
THERE ARE NO RULES :)
-Robert Sent from my iPhone.
On Fri, Aug 2, 2013 at 1:19 AM, Lee-Ping notifications@github.com wrote:
I think that's a good idea. I didn't know it was allowed to do this, but I can move it there. :)
- Lee-Ping
Reply to this email directly or view it on GitHub: https://github.com/rmcgibbo/openmm-cmd/issues/5#issuecomment-21992393
For example, here is what happens if we are using the AMOEBA force field:
Do you think there's a good way to handle this?
Thanks,