Re: [gmx-users] about error running temperature equilibration

2020-04-23 Thread Justin Lemkul
On 4/23/20 3:01 PM, lazaro monteserin wrote: I am trying to run a temperature equilibration of my system and I get the following error: === NOTE 1 [file nvt.mdp]: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting nstcomm to nstcalcenergy NOTE 2 [

[gmx-users] about error running temperature equilibration

2020-04-23 Thread lazaro monteserin
I am trying to run a temperature equilibration of my system and I get the following error: === NOTE 1 [file nvt.mdp]: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting nstcomm to nstcalcenergy NOTE 2 [file nvt.mdp]: Center of mass removal not necessar