Re: [gmx-users] Time for NPT or NVT equilibration

2012-07-11 Thread Justin A. Lemkul
On 7/11/12 2:08 PM, Shima Arasteh wrote: Dear gmx friends,How much time should have been spent in NPT equilibrium for a system composed of protein and water? In Justin's tutorial, I saw it is 100 ps for a system composed of Lysozym and water. Long enough for the observables of interest to c

[gmx-users] Time for NPT or NVT equilibration

2012-07-11 Thread Shima Arasteh
Dear gmx friends,How much time should have been spent in NPT equilibrium for a system composed of  protein and water? In Justin's tutorial, I saw it is 100 ps for a system composed of Lysozym and water. Thanks in advance.   Sincerely, Shima -- gmx-users mailing listgmx-users@gromacs.org htt