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		<title><![CDATA[Multiwfn forum / Removal H--H bond paths  in AIM topoloy using Multiwfn and VMD]]></title>
		<link>http://sobereva.com/wfnbbs/viewtopic.php?id=1664</link>
		<description><![CDATA[The most recent posts in Removal H--H bond paths  in AIM topoloy using Multiwfn and VMD.]]></description>
		<lastBuildDate>Tue, 20 May 2025 16:26:22 +0000</lastBuildDate>
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			<title><![CDATA[Re: Removal H--H bond paths  in AIM topoloy using Multiwfn and VMD]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=5094#p5094</link>
			<description><![CDATA[<p>To delete it in Multiwfn, in the topology analysis interface, choose &quot; -5 Modify or print detail or export paths, or plot property along a path&quot;, and then &quot;3 Delete some paths&quot;, then follow the prompts to input.</p><p>You can also choose to show/hidden some topology paths in VMD. In the paths.pdb exported by Multiwfn, you can find different paths correpond to different residue index. So, in VMD, you can enter &quot;Graphics&quot; - &quot;Representation&quot;, and in &quot;Selected Molecule&quot; select the ID used to showing paths, then if you input e.g. &quot;not resid 3&quot; in the &quot;Selected Atoms&quot; box, then the 3rd path will be invisible. </p><p>Deleting H-H bond path is often acceptable, as it usually only implies an extremely weak interaction (except for case of dihydrogen bond, which is a relatively prominent interaction and the strength is often comparable to H-bond).</p>]]></description>
			<author><![CDATA[dummy@example.com (sobereva)]]></author>
			<pubDate>Tue, 20 May 2025 16:26:22 +0000</pubDate>
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			<title><![CDATA[Removal H--H bond paths  in AIM topoloy using Multiwfn and VMD]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=5092#p5092</link>
			<description><![CDATA[<p>Hello Dear Prof Tian,</p><p>I am plotting an AIM topology map for a complex using Multiwfn and VMD; however, I see some H--H bond paths that I want to delete.</p><p>Please, how can I delete the H--H bond paths using both Multiwfn and VMD?</p><p>Also, is it appropriate to delete H--H bond paths when we use AIM topology as an image to inteprete?</p><p>Thank you in advance.</p>]]></description>
			<author><![CDATA[dummy@example.com (baymor)]]></author>
			<pubDate>Tue, 20 May 2025 13:05:27 +0000</pubDate>
			<guid>http://sobereva.com/wfnbbs/viewtopic.php?pid=5092#p5092</guid>
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