Hong Li

2 Questions 1 Answers 0 Followers

Questions related from Hong Li

Heme in protein - MD simulation?

Dear all, I am currently working on a protein simulation with a heme group in the protein. I am wondering whether anyone can tell me how I can set it up in GROMCAS with charmm forcefile, since...

18 December 2023 4,360 2 View

How to combine trajectory in GROMACS when I repeat the same simulation for three times?

Hi all, I am wondering how I can combine the trajectory in GROMACS. I used the coding 'gmx trjcat -s xx.tpr -f xx-1.xtc xx-2.xtc xx-3.xtc -o xxx-combined.xtc' and 'gmx trjcat -s xx.tpr -f...

17 September 2023 2,500 0 View