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<div dir="ltr"><div dir="ltr">Dear Gromacs experts, <div><br></div><div>I did the following steps to calculate the cosine content for my MD simulation. </div><div><br></div><div>> g_covar -s file.pdb -f dynamic.trr -o -v</div><div>> g_anaeig -s file.pdb -f dynamic.trr -v eigvect.trr -proj</div><div>> g_analyze -f proj.xvy -cc -n 8<br><span style="font-size: 10pt; background-color: rgb(255, 255, 255); "><br></span></div><div><span style="font-size: 10pt; background-color: rgb(255, 255, 255); ">After the final step, I got a file call "coscont.xvg", I found the following information in the file.</span></div><div><br></div><div><div>@ title "Cosine content"</div><div>@ xaxis label "set / half periods"</div><div>@ yaxis label "cosine content"</div><div>@TYPE xy</div><div> 1 0.00227537</div><div> 2 0.00387509</div><div> 3 0.00021574</div><div> 4 0.00747283</div><div> 5 0.0538567</div><di
v> 6 0.00278513</div><div> 7 0.00263389</div><div> 8 0.00138043</div></div><div><br></div><div><span style="font-size: 10pt; ">Would you mind to instruct me how to draw a conclusion based on the result if my calculations has been converged?</span></div><div><br></div><div>Best regards,</div><div><br></div><div>Catherine</div>                                            </div>                                            </div>                                            </div></body>
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