[gmx-users] The PMF curve is asymmetric (However many results of membrane penetration are symmetric)

2018-02-23 Thread ygdcn
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

[gmx-users] The PMF curve is asymmetric (However many results of membrane penetration are symmetric)

2018-02-22 Thread ygdcn
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