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<p class="MsoNormal"><span lang="EN-US">Hi,<br>
<br>
What is the easiest and fastest way to get the number of H bonds on every frame of a large trajectory (>10 000 frames) and print it to a file?
<br>
The hbonds command does not seem to work with the perframe command and displaying the whole trajectory to run a per-frame script is quite slow.<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal" style="background:white"><b><span lang="EN-US" style="color:#222222;mso-fareast-language:FR-BE">Jérémie Knoops</span></b><span lang="EN-US" style="color:#222222;mso-fareast-language:FR-BE"><o:p></o:p></span></p>
<p class="MsoNormal" style="background:white"><b><span lang="EN-US" style="color:#222222;mso-fareast-language:FR-BE">PhD Student<br>
</span></b><b><span style="color:#222222;mso-fareast-language:FR-BE"><a href="http://morris.umh.ac.be/default.aspx" target="_blank"><span lang="EN-US" style="color:#1155CC">Laboratory for Chemistry of Novel Materials</span></a></span></b><span lang="EN-US" style="color:#222222;mso-fareast-language:FR-BE"><o:p></o:p></span></p>
<p class="MsoNormal" style="background:white"><span style="color:#222222;mso-fareast-language:FR-BE"><a href="http://portail.umons.ac.be/en2/" target="_blank"><b><span style="color:#1155CC">University of Mons</span></b></a><o:p></o:p></span></p>
<p class="MsoNormal"><span lang="FR" style="color:#222222;background:white;mso-fareast-language:FR-BE">20, Place du Parc B-7000 Mons (Belgium)</span><span style="mso-fareast-language:FR-BE"> <o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:#222222;background:white;mso-fareast-language:FR-BE">Tel : </span><span style="mso-fareast-language:FR-BE"><a href="tel:%2B32%280%2965%2037%2038%2065" target="_blank"><span style="color:#1155CC;background:white">+32(0)65
37 38 65</span></a><o:p></o:p></span></p>
<p class="MsoNormal"><o:p> </o:p></p>
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