Re: [gmx-users] NVT with lipid bilayer

Justin Lemkul wrote: > Hello all, > > I'm having a few more problems running an NVT ensemble on my system. I have an > integral membrane protein, with a transmembrane helix and small extracellular > domain. The bilayer is DPPC. I have one face of the bilayer solvated to > surround the extracellu

Re: [gmx-users] NVT with lipid bilayer

> Hello all, > > I'm having a few more problems running an NVT ensemble on my system. I > have an > integral membrane protein, with a transmembrane helix and small > extracellular > domain. The bilayer is DPPC. I have one face of the bilayer solvated to > surround the extracellular domain in wat

Re: [gmx-users] print out energy values with more decimals

> Hello, > > I'm testing an implementation of the CHARMM force field in Gromacs. For > the moment, I just work on simple systems and the energies seems to be > correct. Gromacs gives energy values with 5 decimals. Is it possible to > print these values with 6, 8 or 10 decimals? I want to have a pre

[gmx-users] print out energy values with more decimals

Hello, I'm testing an implementation of the CHARMM force field in Gromacs. For the moment, I just work on simple systems and the energies seems to be correct. Gromacs gives energy values with 5 decimals. Is it possible to print these values with 6, 8 or 10 decimals? I want to have a precise idea o

[gmx-users] NVT with lipid bilayer

Hello all, I'm having a few more problems running an NVT ensemble on my system. I have an integral membrane protein, with a transmembrane helix and small extracellular domain. The bilayer is DPPC. I have one face of the bilayer solvated to surround the extracellular domain in water, and there a