Re: [AMBER] Any way of making protein rigid in MD simulation?

From: Gustaf Olsson <>
Date: Mon, 16 Dec 2019 07:14:30 +0000

It’s been a while since I needed to restrain anything. However, there is one option to “freeze” things and there are other options to “restrain” tings. If you put a restraint on some movement there were also the option to specify the energy associated with the restraint. This way, you should be able to put a restraint on the things you need and set the associate energy at a level that still allows movement.

Best regards
// Gustaf

> On 14 Dec 2019, at 05:59, Liao <> wrote:
> Dear fellows,
> I’m trying to run MD with 2 proteins and a ligand. I want to make the protein as rigid as I can (still capable of translational and rotational movement). As far as I understand, adding atom restraints freezes each atom, and that doesn’t allow movement anymore. How could the above problem be solved?
> Thanks.
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Received on Sun Dec 15 2019 - 23:30:02 PST
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