Dear Dr. David,
Thanks for your response. I have made cellulose crystals using a toolkit
named *cellulose builder *(
https://onlinelibrary.wiley.com/doi/full/10.1002/jcc.22959)*.*
After that, when I have imported those crystals in xleap (AMBER), it says
that the residues are not in the residue templates of AMBER.
Is there any method, so that I can change the residue names what is known
to AMBER, or is there any way to generate *(.prep) files, (.lib) files*?
When I have used cellulose builder, I got* (.pdb) and (.psf) files *as an
output.
So, How could I solve this issue?
Any suggestions would be appreciated.
Thank you!
Sincerely,
Pinky
On Thu, Oct 29, 2020 at 7:05 AM David A Case <david.case.rutgers.edu> wrote:
> On Thu, Oct 29, 2020, Pinky Mazumder wrote:
> >
> >Can I built a cellulose crystal structure using AMBER?
>
> Amber is not a model-building program, so you would need to look
> elsewhere. But cellulose is a tricky problem, and aspects of its
> crystal structure are still unclear. Do an internet search on
> "cellulose crystal structure", and you will get lots of good hits. Take
> the result that appeals to you most as your starting structure.
>
> ...good luck...dac
>
>
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>
--
Pinky, Sharmi
AL,US
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Received on Thu Oct 29 2020 - 10:00:02 PDT
