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'.
...dac
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Received on Tue Aug 16 2016 - 05:00:02 PDT
