Dear Chris,

Thank you for your reply. 
My protein is very stable.
I simulated it in 300ns in 300K before but there was almost no change. 
That's why I want to do denaturation now.

I want to start a new simulation on the protein which is unfolded. 
And I'll read the paper you told me. 
Thank you.

But I don't understand what you recommend me to do. 
You use 3000K on your protein and the protein unfolded. 
I use 600K on my protein but the system explode(box become very big and protein 
locate at corner).

I saw the second way on this web, 
http://manual.gromacs.org/online/protunf.html 
But it also useless to me.

And in my mdp I use thermostat and barostat, which means my system is NPT. 
Does anything wrong in my methods?

Sincerely yours,

Hsin-Lin 
 
-- 
gmx-users mailing list    gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at 
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the 
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

Reply via email to