Dear David,
Thank you for your help.
Best Regards, Saman Yousuf Ali
On Tuesday, August 16, 2016 4:59 AM, David A Case <david.case.rutgers.edu> 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'.
...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Aug 16 2016 - 08:00:04 PDT
