Re: [gmx-users] drift of simulation cell

Qing Zhu wrote: Thanks for the quick reply, but now the situation is we already finished a very long run before we realized this problem. So what I want to know is for the given trajectory we have now, can we correct it in retrospect, or if anything from the simulation might be salvaged. you

Re: [gmx-users] drift of simulation cell

Thanks for the quick reply, but now the situation is we already finished a very long run before we realized this problem. So what I want to know is for the given trajectory we have now, can we correct it in retrospect, or if anything from the simulation might be salvaged. When you said turning

Re: [gmx-users] drift of simulation cell

Qing Zhu wrote: Hi All, I am using gromacs to simulate a lipid/cholesterol mixed membrane. When I looked at the trajectory using VMD, the whole simulation cell laterally drifted very fast, and it looked like center of mass motion. But when I set up the simulation, I did turn off the center of

[gmx-users] drift of simulation cell

Hi All, I am using gromacs to simulate a lipid/cholesterol mixed membrane. When I looked at the trajectory using VMD, the whole simulation cell laterally drifted very fast, and it looked like center of mass motion. But when I set up the simulation, I did turn off the center of mass motion. I