[gmx-users] CG energy minimization

Mark Abraham Mark.Abraham at anu.edu.au
Tue Jan 15 01:48:22 CET 2008


Myunggi Yi wrote:
> Sorry this is my top file.
> 
> #include "ffgmx.itp"
> #include "../lipid.popc.itp"
> #include "popc.itp"
> #include "pro.itp"
> #include "ions.itp"
> #include " spc.itp"
> 
> Which one defines constraints?

See manual section five for the other ways of defining constraints. 
You'll have to do your own detective work on those files, or the rest of 
  your .top file.

Mark



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