On Tue, Nov 23, 2021, Liao wrote:
>I found out that the water density is affected by ntf values.
This is indeed odd. Can you post your mdin file (and what program you are
running: for pmemd, is it CPU or GPU)? How big is your water box?
How did you create it?
If we don't spot any problems with the mdin file, someone will have to try
to reproduce the result.
....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Nov 23 2021 - 06:30:03 PST
