Negar Abbasi

2 Questions 8 Answers 0 Followers

Questions related from Negar Abbasi

How can I calculate diffusion coefficient based on Green-Kubo relation?

Dear all, I want to calculate the diffusion coefficient in the bulk based on Green-Kubo relation. Now I want to use : g_velacc -acflen 1001 -nonormalize -mol -n index.ndx -s topol.tpr -o...

01 September 2014 9,015 4 View

How do you parametrize Trilinolein based on Berger lipid parameters when you have .itp and .gro of your molecule from PRODRG?

Using PROGRD I got . itp and .gro files for Trilinolein. I want to parametrize the Trilinolein based on berger force field for lipids. I found Gromos 96 53a6 force field extended to include Berger...

22 July 2014 1,478 12 View