[gmx-users] leapfrog does not yet support Nose-Hoover chains
tarak20489 at gmail.com
Mon Feb 3 18:46:55 CET 2014
Please read Nose-Hoover thermostat. This is chain length is no way related
to the protein chain!
A short note is here
On Mon, Feb 3, 2014 at 8:58 PM, Mahboobeh Eslami <mahboobeh.eslami at yahoo.com
> hi GMX users
> if i use Nose-Hoover thermostat for ligand-protein simulation, i will get
> following note:
> "leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to
> my protein has 1 chain.
> is the note important for ligand-protein simulation?
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