[gmx-users] Starting a simulation of a peptide

[Mark Abraham]

nur avneet wrote:
> Dear
>  
> I am really thankfull to tsjerk and Mark for making me understand the 
> defaults.
>  
> I v removed the defaults section from the lipid.itp as it aws also ther 
> in ffgmx.itp......
> but now it gives an error "Atomtype CA not found!"

So you use your new-found detailed knowledge of the contents of chapter 
5 and work out where grompp was expecting an atomtype to be defined and 
why it didn't find CA defined there.

We know (some of) the answers because we've made these mistakes 
ourselves and spent time reading the manuals. That's hard work, and 
we've no reason to give out the results for free. People who apparently 
are not reading the manuals and either learning from them or remembering 
their contents are likely to annoy us eventually :-) If we just give 
them answers then they'll never learn and we'll never get any peace.

I prefer to teach people to fish rather than feed them a fish. 
Eventually I give up teaching people who don't know they need a fishing 
rod, and also come expecting to catch a blue whale. Then I go and take 
up lawn bowls instead...

Mark