What was the value of ntwx in each simulation?
-Dan
On Thu, Jul 19, 2018 at 1:08 PM, Rana Rehan Khalid <rrkhalid.umich.edu> wrote:
> Dear Amber Users
>
> I performed 4 simulations for 30 ns. The total number of steps 15000000 and
> dt=.002. When I employed CPPTRAJ .out file, I observed that
>
> co2.mdcrd' is an AMBER trajectory, Parm final_solv.prmtop (Orthogonal box)
> (reading 2500 of 2500)
>
> while the total number of steps = 2500000 among these only 2500 read. (cuda)
>
> while the other three simulations the CPPTRAJ read 25000 of 25000. (sander)
>
> Three ran with basic sander while one system simulation performed through
> cuda version.
>
> KInd Regards
> _______________________________________________
> 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 Jul 19 2018 - 11:00:02 PDT
