<div>Hi,</div>
<div> </div>
<div>I've tried running an NEMD run in NPT vis setting the "<span lang="EN-AU">cos_acceleration = 0.3" parameter to determine the solvent viscosity.</span></div>
<div><span lang="EN-AU">However my system kept spectacularly exploding.</span></div>
<div><span lang="EN-AU"></span> </div>
<div><span lang="EN-AU">I've also tried running with the acc_grps specified for 7 molecules (out of the 250 within the system), but it still didn't work.</span></div>
<div><span lang="EN-AU"></span> </div>
<div><span lang="EN-AU">cos_acceleration = ~0.3 nm ps^-2 seem like a reasonable value to use?</span></div>
<div><span lang="EN-AU"><br>Am I only restricted to running NEMD calcs. in NVT?</span></div>
<div><span lang="EN-AU"></span> </div>
<div><span lang="EN-AU">Thanks for the help.</span></div>
<div><span lang="EN-AU"></span> </div>
<div><span lang="EN-AU">Cheers,</span></div>
<div><span lang="EN-AU">Junqiao LEE (Wade)</span></div>
<div><span lang="EN-AU">Curtin University<br>Dept. of Chem. [NRI]</span></div>