Re: [AMBER] bellymask option.

From: Saman Yousuf ali <>
Date: Tue, 16 Aug 2016 14:48:26 +0000 (UTC)

Dear David,
Thank you for your help.
 Best Regards, Saman Yousuf Ali

    On Tuesday, August 16, 2016 4:59 AM, David A Case <> wrote:

 On Tue, Aug 16, 2016, Saman Yousuf ali wrote:

> I want to apply constraint (ibelly=1) on particular part of protein
> during MD Simulation. My target protein total residues are 1-534,
> co-factor and ligand atoms 535-538, counter ions 539-550 and  water
> molecules (TIP3P box) 551-19480. I want to freeze 268-532 residues. I am
> confused, how can I assign (moving residues) mask in bellymask option
> for this system? I just want to freeze 268-532 while rest of the system
> free to move.

Sounds like you should set bellymask to '!:268-532'.


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Received on Tue Aug 16 2016 - 08:00:04 PDT
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