Dear all,
I would like to conduct a minimization on a protein model.
Before that, I would need to restraint the residues.
It is however, from tutorial B1 (section 5.1.3), the residues being restrained is only 1 to 20.
In my case, I have 2 regions which I would like to restrain them but they are far apart (region A: 373-424) (region B: 610-1198).
How should I write that in the 'mdin' script?
Is it possible to do so? Or I would need to pick only 1 region?
And if that is the case, how should I decide on which region is the 'best' to be restraint?
Thank you in advance!
Best regards,
Li Zhe
Sent using CloudMagic<
https://cloudmagic.com/k/d/mailapp?ct=ti&cv=6.0.64&pv=8.2>
[
http://imu.edu.my/e-banner/sew-2015.jpg]
Explore the endless possibilities in the field of medicine & health sciences.
Register today at
http://info.imu.edu.my/sew
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Oct 09 2015 - 05:30:04 PDT
