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.
Mark
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