Hi all:
I tried to use MD simulation to pull a drug across the POPC membrane and to
calculate PMF. I obtained the PMF curve following the guide
(http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/umbrella/)
I found the PMF curve increases as the penetration process procee
Hi all:
I tried to use MD simulation to pull a drug across the POPC membrane and to
calculate PMF. I obtained the PMF curve following the guide
(http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/umbrella/)
I found the PMF curve increases as the penetration process procee