[gmx-users] Question About Force Field
Monique Brito
moniquebrito at yahoo.com.br
Tue Nov 29 13:32:52 CET 2005
Hi,
I'm doing little simulations (10 ps) just for
obtaining the interaction
energies of my ligand and some residues around it
in vacuo.
But the PRODRG program available in web just
works well with the gromacs force field, option
number 4 in gromacs 3.2.1
I was asked about the validity of using this
force field when there is a specific FF for the
simulation in vacuo.
Can you comment this question?
Thanks,
Monique
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