[gmx-users] box size

Michal Kolinski mkolin at iimcb.gov.pl
Fri Apr 1 13:21:29 CEST 2005


I'm simulating protein in DPPC membrane .

At the beginning of simulation, in my *.mdp file I put zero for  tau_p  in order to have fixed box.  

But after 1ns simulation the size of the box has changed. 




Pcoupl              =  berendsen

Pcoupltype          = semiisotropic

tau_p               =  0    0

compressibility     =  0    4.5e-5

ref_p               =  1.0  1.0





Is fixing of box size only possible by  Pcoupl   =   no ?

Please give me some comment on this and thank you in advance.


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