subject:"\[gmx\-users\] thermostat and barostat"

Re: [gmx-users] thermostat and barostat

2018-03-07 Thread Mark Abraham

Hi, The pressure coupling algorithms operate globally (but possibly anisotropically) Mark On Wed, Mar 7, 2018, 17:43 Faezeh Pousaneh wrote: > Hi, > > I simulate a system which is very sensitive to chosen thermostat and > barostat. I see information in > Gromacs webpage (*

[gmx-users] thermostat and barostat

2018-03-07 Thread Faezeh Pousaneh

Hi, I simulate a system which is very sensitive to chosen thermostat and barostat. I see information in Gromacs webpage (*http://www.gromacs.org/Documentation/Terminology/Thermostats *) that some thermostat are not good for systems