Dr.Axel
İ attached my script file .
thanks
ramin
mspc.lta (1.69 KB)
Dr.Axel
İ attached my script file .
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how is that proof that you should see what you don’t see?
it is pointless to continue this discussion until you have it.
i have no crystal ball that tells me whether a script is “right”
or “wrong” and i cannot tell from just looking at it, either.
that is what simulations are for.
i repeat for the final time, you have to think about
your simulation and why you get to see what you
see and understand the cause. if you believe your
paramters are correct (again, your job), then the
result is the result. this is how research works.
axel.
yes İ got the result But.
- İ showed ion exchange in 10 ns only in layer of zeolte
2 . İ couldn’t show the ion exchange in dept of the zeolite cell as you saw in profile by Md code because the dynamics of ion exchange in zeolit is very slow İ think. ( despite of running up to 100 ns).
Ok thanks Dr. Axel
best wishes
ramin