AMBER Archive (2009)

Subject: Re: [AMBER] please read this mail

• Previous message: Carlos Simmerling: "Re: [AMBER] Backbone restraint"
• In reply to: bharat lakhani: "[AMBER] please read this mail"
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On Sat, Apr 18, 2009, bharat lakhani wrote:

> I want to add Mulliken charges to zinc ionc when i am
> loding my drug along with ligand.The prepin file does not have zn.

You will have to solve this problem first.

> I gone
> through all the tutorial which are available on the website.But till now i
> did not get any information regarding this.

Please look again at tutorial A1: this shows a couple of different ways
of simulating a copper atom in a protein. Zinc can be handled the same
way.

...dac

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• Previous message: Carlos Simmerling: "Re: [AMBER] Backbone restraint"
• In reply to: bharat lakhani: "[AMBER] please read this mail"
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