Re: Aw: [gmx-users] unable to equilibrate pressure in npt

.based on real > macroscopic pressures.  I may be wrong , but this is my assumption. > >   > > Stephan Watkins > > > Gesendet: Donnerstag, 25. Juli > 2013 > um 18:22 Uhr > Von: a...@imtech.res.in > An: gmx-users@gromacs.org > Betreff: [gmx-users] unable to equilibrate pr

Aw: [gmx-users] unable to equilibrate pressure in npt

18:22 Uhr Von: a...@imtech.res.in An: gmx-users@gromacs.org Betreff: [gmx-users] unable to equilibrate pressure in npt Dear gromacs users, I know similar issues have been raised many times on the list but I am unable to solve the problem so I am seeking your advice. I am trying to simulate a protein

[gmx-users] unable to equilibrate pressure in npt

Dear gromacs users, I know similar issues have been raised many times on the list but I am unable to solve the problem so I am seeking your advice. I am trying to simulate a protein in a dodecahedron box. The system size is ~30k atoms. I have followed the methodology given in the lysozyme tutorial