Emadeldin M Kamel

2 Questions 17 Answers 0 Followers

Questions related from Emadeldin M Kamel

Which is better in running molecular dynamics simulation; Amber, Charmm or gromacs?

which one is the easiest and most accurate

10 October 2015 1,758 11 View

How can I optimize large transition states in which OH is moving from one molecule to another?

I'm using Gaussian 09 and I'm trying to get a transition state in which the OH is transferring from cytochrome to a substrate, some of my calculations are normally terminated but I got a small...

04 April 2015 6,008 8 View