[gmx-users] protein melting experiment by GROMACS

[Acoot Brett]

Dear All,
 
I remember before I have read a something on melting the protein from a predefined starting temperature to a predefined end temperature by MD, so that after the MD we can look at the whole process to see which part of the protein unfold earlier, which part of the protein of the protein unfold earlier. No I cannot find that introduction.
 
After we equilibriate the protein system, will you please tell me how to define the temperature gradient from the start temperature to the end temperature in the mdp file? Or do you have a protocol on it?
 
Cheers,
 
Fenghui
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120329/b22b1d9f/attachment.html>