subject:"\[gmx\-users\] the value of pressure is negative"

Re: [gmx-users] the value of pressure is negative

2013-04-02 Thread Justin Lemkul

On 4/2/13 7:56 PM, Nur Syafiqah Abdul Ghani wrote: Hi all, I had this problem.When i finished run the equilibration part which is the NPT part, and the time for this equilibration takes is about 500ps. In here,i use the pressure 1 bar and the temperature is 300K, But when i run the command g_e

[gmx-users] the value of pressure is negative

2013-04-02 Thread Nur Syafiqah Abdul Ghani

Hi all, I had this problem.When i finished run the equilibration part which is the NPT part, and the time for this equilibration takes is about 500ps. In here,i use the pressure 1 bar and the temperature is 300K, But when i run the command g_energy to check the pressure of the system, the value is