Samrat Pal wrote:
Dear All,
I am a new GROMACS user. I have been able to solvate a protein in a
water box and also to simulate it and unfold it by heating it. But I
have facing problem with the script of AFM pulling. I want to unfold a
protein by pulling the two ends of the protein. Can anyone give me a
full script for that so that I can standardise my protocol? Suggestion
is urgent.
http://www.gromacs.org/Documentation/Tutorials#Umbrella_Sampling
Also, as a bit of advice, don't use the word "urgent" when asking for free help.
You're hoping someone else (who is busy) will find time to solve an issue for you.
-Justin
Thanks in advance
Samrat Pal
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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