[gmx-users] leapfrog does not yet support Nose-Hoover chains

[tarak karmakar]

Please read Nose-Hoover thermostat. This is chain length is no way related
to the protein chain!
A short note is here
 http://www.pages.drexel.edu/~cfa22/msim/node35.html


best,
Tarak


On Mon, Feb 3, 2014 at 8:58 PM, Mahboobeh Eslami <mahboobeh.eslami at yahoo.com
> wrote:

> 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
> 1."
> my protein has 1 chain.
> is the note important for ligand-protein simulation?
> thanks
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