Re: [AMBER] Zinc dummy atom error in MMPBSA calculation

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Wed, 6 Sep 2017 10:05:06 -0700

Maybe if you use the standard dummy atom name, DU, it will work.

Otherwise, search the code and parameters for DU, and replicate with DZ.

Bill


On 9/5/17 10:26 PM, Sharon D. Morris wrote:
> Sir,
>
> I had incorporated the Zinc parameters in mm_pbsa_calceneent.pm thus the bad atom type error for Zn atom was solved but now I am getting bad atom type error for the DZ dummy atom of Zinc. Kindly suggest me how to solve this issue.
>


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Received on Wed Sep 06 2017 - 10:30:02 PDT
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