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

Weingarth, M.H. M.H.Weingarth at uu.nl
Thu May 3 13:47:21 CEST 2012


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 system seperately>>

I am simulating a mixed dppc:dppg membrane (see below my parameters). Even these two different lipids-types should be coupled separately? (and how about Na+ (Qd particles) and water - also separately?)

I would greatly appreciate any comment on this issue.

Thanks a lot

my parameter:
; Temperature coupling:
tcoupl                   = berendsen
; Groups to couple separately:
tc-grps                  = DPPC DPPG W NAA Protein

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