[AMBER] How to import (.pdb) files into xleap of AMBER generated by Cellulose builder

From: Pinky Mazumder <pmazumder67.gmail.com>
Date: Thu, 29 Oct 2020 00:47:59 -0500

Dear AMBER Users,

There is a toolkit named cellulose builder
(https://onlinelibrary.wiley.com/doi/full/10.1002/jcc.22959) which I have
used to generate the cellulose bundles. The output of this toolkit is
(.pdb) files and (.psf) file.

When I am importing these (.pdb) files in xleap, it gives the message
attached herewith.

*Leap added 72000 missing atoms according to residue templates:*
*37440 Heavy*
* 34560 H / lone pairs*
*The file contained 31680 atoms not in residue templates*

Could you please give me any suggestions to solve this issue?

Any help would be appreciated.

Thank you!


Regards,
-- 
Pinky, Sharmi
AL,US



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Received on Wed Oct 28 2020 - 23:00:02 PDT
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