Manish Bhatt

2 Questions 4 Answers 0 Followers

Questions related from Manish Bhatt

Hello, I wanted to get pointers on how can I implement http://scholarworks.uno.edu/cgi/viewcontent.cgi?article=1005&context=chem_facpubs in GRIMACES?

I am trying to implement REDS in gromacs but can't identify the MPI architecture and data flow for GROMACS to make changes. Please tell me where I need to make changes?

07 July 2016 6,334 3 View

Which vector in GROMACS has forces for the system?

I am trying to implement scaled potential replica exchange in GROMACS. I need to scale forces for that too. How do I scale forces?

08 August 2015 8,601 6 View