On 8/2/17 3:23 PM, gangotri dey wrote:
Hello!
I am trying to minimize a periodic MnO2 surface using UFF force fields. I
have previously computed many structures using MnO2 clusters. I did not
face much problem.
However, when I am trying to compute the minimization using the following
Hello!
I am trying to minimize a periodic MnO2 surface using UFF force fields. I
have previously computed many structures using MnO2 clusters. I did not
face much problem.
However, when I am trying to compute the minimization using the following
minim.mdp there is segmentation error as follows.
