Hi,

I'm a complete novice when it comes to using any kind of command prompt based programmes and hadn't even heard of Linux until my supervisor wanted me to use gromacs ... so needless to say I'm running into a few problems!!

I've managed to perform all the generic energy minimisations etc on my protein (basically I can do everything that has been spoon fed to me on the tutorial), but now I want to begin simulating AFM pulling experiments. I've printed (and bound!) the entire manual but I'm still coming up against problems with understanding how I go about running the AFM simulations.


Does anyone have a basic syntax they have used to perform a similar simulation so I can work from there and figure out what I need to put where?

Also, do I need to create any specific input files for these simulations?

Thanks so much for your help with this...
A rather inept gromacs user (Natalie!)
xxx

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