Dipak Prasad

2 Questions 1 Answers 0 Followers

Questions related from Dipak Prasad

Bond atoms missing on proc 0 at step 65 and Out of range atoms cannot compute pppm?

I am trying to run nemd shock simulation on water through momentum mirror technique with tip4p flexible potential. Errors originated due to change of periodic boundary to fixed condition along...

09 September 2018 4,930 2 View

How to use molvib in association with gaussian 09?

How can we get output file from Gaussian 09 for further use in Molvib (for scaling of force constant) as molvib requires .dat or .arc file i am getting only .out file from Gaussian.

04 April 2018 2,690 1 View