simtk.org

I do check this forum, so anyone with questions should post here and I'll reply as soon as I can!

- Lee-Ping

Hi Lee-Ping,

I'm using OpenMM for my simualtions alongthwith OpenCL GPU accelerator.
I need to provide information about the molecule ADP into AMBER99. We already have the information regarding the Polyphosphate parameters-
http://personalpages.manchester.ac.uk/s ... f/ADP.prep

So should I enter the new data into the xml files manually or can I load two separate files?
Thanking you,
Sincerely
Preeti

Hi Preeti,

Can you ask on the OpenMM forum?

Thanks,

- Lee-Ping