Amarjeet Kumar

2 Questions 15 Answers 0 Followers

Questions related from Amarjeet Kumar

Need Suggestions for running REST2 simulation with GPU accelaration in Gromacs?

Hello Everyone !! Gromacs with double precision is argued to be more appropriate for performing REST2 simulation specially for large systems where the total energy happens to be of the order of...

07 July 2019 7,117 3 View

How to handle HS14 in generated Heteromolecule topology from ATB server?

Hello everyone!! I generated the topology of my heteromolecule by ATB server using Semi emperical method. I want to run a simulation using gromacs using gromos96 53a6 force field and tip3p water...

02 February 2016 6,943 7 View