Thank you very much for your help. I will study further.
> Date: Thu, 7 Apr 2011 13:16:06 -0400
> From: carlos.simmerling.gmail.com
> To: amber.ambermd.org
> Subject: Re: [AMBER] How to apply restraint based on a reference structure?
>
> Look at the ntr variable in the manual. You can also use the tgtmd variable,
> which differs in that you can set the desired rmsd. Ntr uses a spring for
> each atom in the mask. Tgtmd uses one spring for the rmsd.
>
> On Apr 7, 2011 12:12 PM, "Catein Catherine" <askamber23.hotmail.com> wrote:
>
>
> Dear Sir/Madam,
>
> How to apply restraint based on a reference structure? but not a distance
> nor angle in umbrella sampling? Can it be used for PMF calculations?
>
> Best regards,
>
> Catherine
>
>
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Received on Thu Apr 07 2011 - 11:00:03 PDT
