Hi,
On Thu, Jan 31, 2019 at 2:44 PM Shayna Hilburg <shayna.hilburg.gmail.com> wrote:
>
> First, on some resources online I'm seeing that time units are (1/20.455)
> ps, but the manual says that the time units are just in ps "unless
> otherwise noted". When using frame.time from pytraj, are those units in ps?
The manual is correct here - time for cpptraj/pytraj is reported in
units of ps (again, unless otherwise noted). The 1/20.455 factor comes
from using the AKMA units system and for users only matters when
looking at raw output from velocity trajectories (as far as I know).
>
> Additionally, are the values cumulative if there are multiple simulations
> performed (such as minimization, heating, production) or only within the
> specific loaded trajectory? I assume it is cumulative of some sort since my
> trajectory does not start at 0, but I'm not sure.
Not sure exactly what you mean here - which values - time? By default,
when you restart a simulation the time continues from whatever time is
in the restart file.
-Dan
>
> Any help is appreciated!
> Thanks,
> Shayna
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jan 31 2019 - 13:00:02 PST
