Re: [gmx-users] Stress-Strain curve plot

2019-05-29 Thread Anh Vo
Hi, Thank you very much for your answers. There are many questions that I have searched online and looked up in GROMACS manual but still confused, so I asked here. Your answers help to clarify them a lot for me. I really appreciate it. However, there are some questions that I'm still not very

Re: [gmx-users] Stress-Strain curve plot

2019-05-28 Thread Anh Vo
Hi, 2. As I know, lower yield stress means the molecules are not holding together in the structure as well, and higher yield means that some change is happening later in GROMACS simulations. Together, they suggest that your chains are not pulling away from one another as quickly. In other words,

Re: [gmx-users] Stress-Strain curve plot

2019-05-28 Thread Mark Abraham
Hi, On Tue, 28 May 2019 at 23:26, Anh Vo wrote: > Hi all, > > > I’m running GROMACS to simulate a simple phospholipid bilayer membrane > (POPC) under deformation, and plot the von Mises stress-strain curve to > determine yielding point. > > > > I have got the membrane deformed and extractred

[gmx-users] Stress-Strain curve plot

2019-05-28 Thread Anh Vo
Hi all, I’m running GROMACS to simulate a simple phospholipid bilayer membrane (POPC) under deformation, and plot the von Mises stress-strain curve to determine yielding point. I have got the membrane deformed and extractred output pressures from .edr file (option PRESS X, PRESS Y, PRESS Z)