<html><body><div style="color:#000; background-color:#fff; font-family:verdana, helvetica, sans-serif;font-size:12pt"><div>Dear GROMACS Users</div><div><br></div><div>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. <br></div><div><br></div><div><br></div><div>5000000 steps, 150000.0 ps.<br>step 0<br>Step 1 Warning: pressure scaling more than 1%, mu: 1.04679 1.04679 1.04679<br><br>Step 1 Warning: pressure scaling more than 1%, mu: 1.04679 1.04679 1.04679<br></div><div><br></div><div>my pr.mdp about pressure coupling is:</div><div><br></div><div>pcoupl = berendsen<br>pcoupltype = isotropic ; uniform scaling of box vectors<br>tau_p = 4 ; time constant, in ps<br>ref_p
= 1.0 ; reference pressure, in bar<br>compressibility = 4.5e-5 ;isothermal compressibility of water, bar^-1</div><div><br></div><div><br></div><div>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?</div><div><br></div><div>Best Regards</div><div>Sara<br></div></div></body></html>