Dear Amber User and developer,
I have 2 question:
first:
I just read in AMBER 12 Manual, in page 248, sub 7.7.7 Considerations for
Maximizing GPU Performance, point 4.
It is said :
4. Avoid using the NTP ensemble (NTB=2) when it is not required.
Performance will generally be NVE~NVT>NPT.
I just to make sure that to term "avoid" doesn't mean prohibited. So I can
still make simulation with NPT ensemble. It right ?
second:
My Lab will buy GTX 660 Ti, with 1344 cuda core. Does the GPU accelerated
MD in AMBER support this hardware ?
thank you very much
Setyanto TW
Institut Teknologi Bandung
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Feb 24 2014 - 01:00:02 PST
