Hi everyone,
For running MD simulations for 10 ns the changes in the parameters of
heat.in and prod.in file are in the nstlim, dt and ntwx.
If I change the parameters to
nstlim=100000,
dt=0.1,
ntpr=100,
ntwx=100, in the prod.in file what change would be required in heat.in
file's parameter as there needs to be consistency of running *prod* after
the heat time is over.
Thanks
Ruchika
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Nov 08 2014 - 09:00:02 PST
