[gmx-users] different nb parameters for inter and intramolecular interactions
shnek at tiscali.cz
Mon Jul 25 13:47:06 CEST 2005
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 _"
More information about the gromacs.org_gmx-users