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

Lubos Vrbka shnek at tiscali.cz
Mon Jul 25 13:47:06 CEST 2005

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,

_ at _"

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