Dear Amber Users/Developers,
I'm currently writing some code which involves the modification of prmtop files generated from leap. I'm interested in knowing how the following list is generated, such that I can replicate it in my code.
%FLAG NUMBER_EXCLUDED_ATOMS
I've looked into the leap src and I've found snippets of code involving the numex/natex lists, but very little in the way of commentary. Does anyone have any insight into this?
Kind Regards,
Nick Browning
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Mar 07 2013 - 09:00:04 PST
