[gmx-users] compressing the system

[Moeed]

Hello,

My efforts for compressing a polymer chain all failed. Even when I am
compresing very slowly with tau-p=10 and ref_p of 1 bar simulation crashes
when box size is close to chain size.. I tried different pressures of 1 10
30 and tau_p of 1 2 5 10 and cobination of these...Has anyone idea on
suitable parameters ?

;        Pressure coupling
Pcoupl              =  Parrinello-Rahman
Pcoupltype          =  semiisotropic
tau_p               =             1         1
compressibility     =  4.5e-5 4.5e-5           ;
ref_p               =  1.0                1.0

Thanks,
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