[AMBER] the unperturbed charge of the unit is not zero

From: soukaina louerdi <s.louerdi.uhp.ac.ma>
Date: Sun, 28 Oct 2018 00:17:49 +0100

Dear all,

I tried to build and lammps dynamic properties of the thiophene polymer.
I want to construct a polymer by using Moltemplate with Gaff force field.
And I want to generate the partial charges using antechamber (AM1/BCC) but
i found the error attached to this email.

Could anyone help, please?

Thanks in advance

AMBER mailing list

(image/png attachment: error.PNG)

Received on Sat Oct 27 2018 - 16:30:03 PDT
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