[gmx-users] different nb parameters for inter and intramolecular interactions

[Lubos Vrbka]

hi guys,

is it possible to have in gromacs 2 sets of nonbonded parameters for the 
same atom types? i would like to use buckingham potential for water and 
a  solute (zeolite framework). for water, i have set both intramolecular 
  and intermolecular O-H buckingham potentials that are not the same. 
can i somehow define this situation in gromacs?

thank you for help. best regards,

-- 
Lubos
_ at _"