Sikiru Akinyeye Ahmed

2 Questions 1 Answers 0 Followers

Questions related from Sikiru Akinyeye Ahmed

What is the meaning of this warning " no data point in bin 61-129, you may not get a reasonable profile" during WHAM analysis (in umbrella sampling)?

While analysing WHAM during umbrella sampling, the warning shows " no data point in bin 61-129, you may not get a reasonable profile". please how do I fix this problem.

01 January 2018 1,767 0 View

How can we solve this problem in MD simulation?

1 particles communicated to PME rank 2 are more than 2/3 times the cut-off out of the domain decomposition cell of their charge group in dimension x.

01 January 2018 7,992 0 View