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 [
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