subject:"\[gmx\-users\] average pressure of a system"

Re: [gmx-users] average pressure of a system

2013-09-10 Thread Justin Lemkul

On 9/10/13 9:12 PM, Dwey wrote: Hi All. I work on a simulation of a membrane protein in a model membrane (DPPC) with a total of 26,859 atoms. In a step of NPT equilibration, my mdp file is used for a 100 ps NPT and it has a reference pressure of 1 bar. At the end of simulation, I obta

RE: [gmx-users] average pressure of a system

2013-09-10 Thread Dallas Warren

> Subject: [gmx-users] average pressure of a system > > Hi All. > >I work on a simulation of a membrane protein in a model membrane > (DPPC) with a total of 26,859 atoms. In a step of NPT equilibration, > my mdp file is used for a 100 ps NPT and it has a reference pres

[gmx-users] average pressure of a system

2013-09-10 Thread Dwey

Hi All. I work on a simulation of a membrane protein in a model membrane (DPPC) with a total of 26,859 atoms. In a step of NPT equilibration, my mdp file is used for a 100 ps NPT and it has a reference pressure of 1 bar. At the end of simulation, I obtained a result of the average pressure