Re: [gmx-users] pressure and density

No comment, please? Regards, Alex On Sun, Jun 26, 2016 at 9:52 PM, Alexander Alexander < alexanderwie...@gmail.com> wrote: > > > On Sun, Jun 26, 2016 at 12:04 PM, Mark Abraham > wrote: > Hello Mark and thank you for your response. > >> Hi, >> >> On Sat, Jun 25, 2016 at

Re: [gmx-users] pressure and density

On Sun, Jun 26, 2016 at 12:04 PM, Mark Abraham wrote: Hello Mark and thank you for your response. > Hi, > > On Sat, Jun 25, 2016 at 5:27 PM Alexander Alexander < > alexanderwie...@gmail.com> wrote: > > > Dear gromacs user, > > > > I have a system containing a solid

Re: [gmx-users] pressure and density

Hi, On Sat, Jun 25, 2016 at 5:27 PM Alexander Alexander < alexanderwie...@gmail.com> wrote: > Dear gromacs user, > > I have a system containing a solid surface(18000 atoms) and on top of it a > heptapeptide solvated in water(SOL 9604), after a good minimisation and > NVT equilibration and

[gmx-users] pressure and density

Dear gromacs user, I have a system containing a solid surface(18000 atoms) and on top of it a heptapeptide solvated in water(SOL 9604), after a good minimisation and NVT equilibration and before production(which will be in NVT ensemble), I did NPT equilibration (1 bar) for 200 ps and continued