Hi David,
Thank you. According to your instructions, it works.
Though I have built the monomer of lignin using graphic antechamber, I am
unable to make the polymer of it.
Would you please guide me in this regard?
Thanks in advance.
Regards,
Pinky
On Thu, Jun 11, 2020 at 9:13 AM David A Case <david.case.rutgers.edu> wrote:
> On Wed, Jun 10, 2020, Pinky Mazumder wrote:
> >
> >I am trying to save the *parm7 and rst7 *file of cellulose-lignin
> structure
> >from xleap. It is saying that *'' the files have some atoms not in the
> >residue templates''.*
>
> This means that atoms/residues in your input PDB files are not present
> in the library files you loaded.
>
> >
> >To solve this problem, what should I do?
>
> LEaP should give you information about which atoms are unmatched. Look
> at the loaded libraries (using a text editor), and compare them to what
> is in your input PDB file. Generally, you would then edit the PDB file
> to make the atom and residue names match up.
>
> ...good luck....dac
>
>
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--
Pinky, Sharmi
AL,US
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Received on Wed Jun 17 2020 - 17:30:04 PDT
