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Dear Gromacs user
I'm currently working with Coarse grain martini forcefield, but
before that I've used all atom simulation. in the below suggested
.mdp file [1] , as you notice the recommended value for tau-t with
V-rescale is 1 and the recommended value for tau-p with Parrinello-Rahman
is 12 but as you have remembered in Justin's tutorial this value are
set to 0.1 and 5 in order. beside, the compressibility value in
Justin's tutorial for DPPC and water is set to 4.5e-5 but in the
below .mdp file it is set to 3e-4. also Justin has answered to a person
that these value are not forcefield dependence at all. so is there any
paradox or not ? I really appreciate it if you give a direct answer to
me.
sincerely, Ali
[1] :
http://md.chem.rug.nl/images/parameters/exampleMDP/martini_v2.x_new-rf.mdp
==================
Ali khourshaei shargh (khourshaeisha...@mech.sharif.ir)
Department of Mechanical Engineering
Sharif University of Technology, Tehran, Iran
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