Re: [gmx-users] pressure average in 3.3.1

Mark Abraham wrote: [EMAIL PROTECTED] wrote: Dear Gromacs-users, I have claculated pressures for a trajectory using g_energy. However, the average pressure that is calculated by the program automatically is quite different from the value I get when I average over the data in the output file

[gmx-users] pressure average in 3.3.1

Dear Gromacs-users, I have claculated pressures for a trajectory using g_energy. However, the average pressure that is calculated by the program automatically is quite different from the value I get when I average over the data in the output file that was generated by g_energy. So is the output

Re: [gmx-users] pressure average in 3.3.1

[EMAIL PROTECTED] wrote: Dear Gromacs-users, I have claculated pressures for a trajectory using g_energy. However, the average pressure that is calculated by the program automatically is quite different from the value I get when I average over the data in the output file that was generated by