[gmx-users] Converting of itp topology files

Mark Abraham Mark.Abraham at anu.edu.au
Thu Nov 10 12:38:05 CET 2011

On 10/11/2011 9:30 PM, James Starlight wrote:
> Dear Gromacs Users!
> I need tto convert topology.itp fule  made for my molecule for the old 
> gromos87 force field to the form wich would be suitable for the 
> simulation with the gromos96 force field.
> What  main corrections should I do in my existing .itp topology?

Use pdb2gmx with gromos96 to find out the form of the solution. Then 
adapt as necessary.


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