[gmx-users] help regarding analysis

[pragya chohan]

Dear users
 
I have run a protein XX in water. According to literature, it is supposed to undergo tertiary structure changes without much secondary structure changes.
 
Can anyone help me with what can be a suitable analysis method for it.
The other changes reported include 1. change in hydrophobicity - which I have done 
2. some change from helix to coil which I have done through do_dssp
 
Any other suggestion is appreciated
 
Thanking You
 
Pragya Chohan
 
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