Re: [AMBER] Cellulose-lignin interaction

From: Pinky Mazumder <>
Date: Wed, 17 Jun 2020 19:06:39 -0500

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.


On Thu, Jun 11, 2020 at 9:13 AM David A Case <> 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
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Received on Wed Jun 17 2020 - 17:30:04 PDT
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