Caroline Freitas

3 Questions 9 Answers 0 Followers

Questions related from Caroline Freitas

How to calculate the radius of gyration in nanoseconds (ns)?

I would like to calculate the radius of gyration in nanoseconds(ns), as it is in many publications, instead of picoseconds(ps). How to change the units (in grace) or how to modify the command to...

11 November 2019 2,467 6 View

How to reduce the solv box?

Hi everyone, I' ve facing a problem with a very time consuming MD calculation for a small system (2000 atoms protein+ligand) and when I looked at VMD, could see that are many solvent...

09 September 2019 7,233 9 View

Why did I get RMSD plot with 10ns if the MD was 100ns trajectory?

I am new in gromacs and I'm experiencing some difficulties in the analysis of my results. I calculated the RMSD of backbone and ligand from the MD with a trajectory of 100ns (nsteps = 50000000),...

09 September 2019 1,891 6 View