[AMBER] Regular Ewald calculations on GPU

From: Nikolay N. Kuzmich <nnkuzmich.gmail.com>
Date: Fri, 7 Jun 2019 20:35:33 +0300

Dear Amber developers,

I am just curious if you have plans to implement direct Ewald calculations
(ew_type=1)
in pmemd.cuda in the near future. As follows from the manual, right now it
is available only in sander.

Kind regards,
Nick

Laboratory of Drug Safety
Research Institute of Influenza,
WHO National Influenza Centre of Russia,
15/17 Professor Popov St.,
Saint-Petersburg
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Jun 07 2019 - 11:00:04 PDT
Custom Search