[gmx-users] Re: Error in Membrane simulations with POPC bilayer
think_beyond at aol.com
Tue Jul 17 10:05:53 CEST 2012
I have the following Notes during NPT equilibration.
NOTE 1 [file pr_NPT.mdp]:
nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting
nstcomm to nstcalcenergy
NOTE 2 [file pr_NPT.mdp]:
leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1
What do they really mean? Is the system safe with these notes?
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