<![CDATA[Multiwfn forum / cp2k output trajectory convert to pdb]]> - //www.umsyar.com/wfnbbs/viewtopic.php?id=719 Fri, 30 Sep 2022 11:39:49 +0000 FluxBB <![CDATA[Re: cp2k output trajectory convert to pdb]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=2751#p2751 Thank you Dear Prefessor
Best Regards

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Fri, 30 Sep 2022 11:39:49 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=2751#p2751
<![CDATA[Re: cp2k output trajectory convert to pdb]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=2745#p2745 In the interface of opening new file, choose "load all at once" before clicking "Load", the loading time will be significantly reduced.

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Thu, 29 Sep 2022 23:18:20 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=2745#p2745
<![CDATA[Re: cp2k output trajectory convert to pdb]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=2743#p2743 Thank you Dear Prefessor

I know what you said, but it takes hours to open vmd xyz file at 100000 frames. How to do it differently from VMD?

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Thu, 29 Sep 2022 20:36:53 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=2743#p2743
<![CDATA[Re: cp2k output trajectory convert to pdb]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=2742#p2742 Load it into VMD, and select "Save coordinate" to save the trajectory to pdb format.

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Thu, 29 Sep 2022 20:20:24 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=2742#p2742
<![CDATA[cp2k output trajectory convert to pdb]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=2740#p2740 Hi
How to convert output trajectory(Molecular_dynamic.xyz file) to pdb format?
Regards

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Thu, 29 Sep 2022 19:54:18 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=2740#p2740