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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Oct 28 2020 - 23:00:02 PDT