Another possibility is to use a force field which has already been
developed for small molecules that makes it easier to parameterize.
One example is the Generalized Amber Force Field for small molecules,
which can be used with the AMBER protein force fields (which, I might
add, have been ported t
pkmukher wrote:
Dr Spoel,
Thanks for your suggestions. Actually i would be using the
GROMOS96 force field(option 0 in pdb2gmx GROMOS96 43a1).I am
new to the GROMACS package.I wish to simulate a
ligand-protein system and had been using the drug-enzyme
tutorial available for this purpose. In the
Dr Spoel,
Thanks for your suggestions. Actually i would be using the
GROMOS96 force field(option 0 in pdb2gmx GROMOS96 43a1).I am
new to the GROMACS package.I wish to simulate a
ligand-protein system and had been using the drug-enzyme
tutorial available for this purpose. In the tutorial they
use
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