[gmx-users] Regarding NPT Eq.

[Ravi Kumar Venkatraman]

Dear All,

I have been trying to do NPT equilibration for 100 ps. I have tried with
different tau_p like from 0.5 to 2 and my reference pressure is 1 bar. Since
I am continuing from 20 ps NVT equilibrated configuration, in npt.mdp I have
written init_step = 10000 (10000*0.02 fs = 20 ps). But instead of doing all
this I am not able equilibrate to 1 bar. Is there any thing wrong in my
formalism. Please let me. Thank you in advance.
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