[gmx-users] Need For a Script

[Justin A. Lemkul]

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
> 

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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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