Re: [AMBER] UnitCell problem:Anisotropy records cannot be placed

From: David A Case <>
Date: Mon, 17 Oct 2016 12:37:36 -0400

On Mon, Oct 17, 2016, Zhou, Weijiang wrote:
> GetPDB >> Error. Anisotropy records for atom 1232 cannot be placed.

Unless you really need them, delete the ANISOU cards from your input file.
The UnitCell program is not properly reorienting the anisotropy records anyway

Thanks for the report.


p.s.: if you are planning run Amber, be careful with water models like those
in this pdb file: many of the waters have occupancies much less than 1.

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Received on Mon Oct 17 2016 - 10:00:02 PDT
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