Re: AMBER: Settings about frozen atoms in sander

From: Jiten <jiten.postech.ac.kr>
Date: Sat, 30 Oct 2004 01:05:36 +0900

Hello,

I belive that ntr will be better option, you have to set large cartitian
restraints for the residues beyong 16 Angstrom of the inhibitors.

I hope it helps,

Jiten

----- Original Message -----
From: "Xiao He" <hx.itcc.nju.edu.cn>
To: "amber" <amber.scripps.edu>
Sent: Saturday, October 30, 2004 12:00 AM
Subject: AMBER: Settings about frozen atoms in sander


> Dear Amber users,
> If I want to froze the atoms beyond 16 Angstrom of the inhibitor during MD
> simulation,
> As I know now ,I have to use ibelly=1 command,then give sander each frozen
> groups by human observation.
> Is there any easier way?
> Thanks in advance!
>
>         Xiao He
>         hx.itcc.nju.edu.cn
>           2004-10-29
>
>
>
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Received on Fri Oct 29 2004 - 17:53:00 PDT
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