Re: [gmx-users] jointly-couple lipids to theromstat - MARTINI force-field

2012-05-03 Thread XAvier Periole
The separation of groups for temperature control is originally necessary to avoid (or correct for) temperature gradient in the system, which occurs when systems parts have different frequencies of motions. Typically the water molecules and a protein would be separated to avoid the freezin

Re: [gmx-users] jointly-couple lipids to theromstat - MARTINI force-field

2012-05-03 Thread Anirban Ghosh
On Thu, May 3, 2012 at 5:17 PM, Weingarth, M.H. wrote: > Hello, > > I am a bit confused by a comment which I find in all MARTINI example > md.mdp scripts concerning the tc-groups : > > It is stated there to couple groups separately: > > << MARTINI -Normal temperature and pressure coupling scheme

[gmx-users] jointly-couple lipids to theromstat - MARTINI force-field

2012-05-03 Thread Weingarth, M.H.
Hello, I am a bit confused by a comment which I find in all MARTINI example md.mdp scripts concerning the tc-groups : It is stated there to couple groups separately: << MARTINI -Normal temperature and pressure coupling schemes can be used. It ; is recommended to couple individual groups in your