Re: [AMBER] Fixed Minimization

From: David A Case <>
Date: Fri, 6 Dec 2019 08:26:13 -0500

On Thu, Dec 05, 2019, emanuele falbo wrote:
>I am trying to run a Minimization with one residue coordinates fixed.
>However, no matter how large the restraint constant it is, the residue
>keeps being minimised.

How far does it move? How big is the restraint energy? Is the -ref
file the same as the -c file? (That is, is the restraint energy zero on
step 1?)

You could also use the belly option to allow only residues greater than
1 to move.


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Received on Fri Dec 06 2019 - 05:30:02 PST
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