Re: [AMBER] Zwitter ionic form of a residue

From: Dr. Anselm Horn <>
Date: Tue, 30 Jun 2020 15:22:20 +0200

Hi Sunita,

some time ago, we created a consistent parameter set for isolated amino
acids in their zwitterionic form (doi: 10.1007/s00894-014-2478-z).

The parameter set is available via Richard Bryce's website

Maybe this helps.

Best regards,


On 06/30/2020 01:20 PM, Sunita Patel wrote:
> Dear Users,
> I want to generate a topology file and a coordinate file for a single
> residue (Leu) in zwitter ionic form. I went through the manual (LEaP) but
> could not figure out how to do this.
> Your help will be highly appreciated.
> Sincerely,
> Sunita
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Received on Tue Jun 30 2020 - 06:30:03 PDT
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