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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