[gmx-users] pressure coupling

[mohammad agha]

Dear GROMACS Users

I have a warning after doing pr.mdp as followed, I read errors in GROMACS site and checked mailing list, but my warning is only step1 and after that equilibration is run normally till end.  



5000000 steps, 150000.0 ps.
step 0
Step 1  Warning: pressure scaling more than 1%, mu: 1.04679 1.04679 1.04679

Step 1  Warning: pressure scaling more than 1%, mu: 1.04679 1.04679 1.04679


my pr.mdp about pressure coupling is:

pcoupl        = berendsen
pcoupltype    = isotropic    ; uniform scaling of box vectors
tau_p        = 4 ; time constant, in ps
ref_p        = 1.0     ; reference pressure, in bar
compressibility = 4.5e-5  ;isothermal compressibility of water, bar^-1


I work in Martini Coarse-Grained and my time step is 0.03 ps. I increased tau_p but my warning increased to step 1 and step 11, I think this warning since it is only in initial steps isn't important, is my idea right?

Best Regards
Sara
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