[gmx-users] Including quadrupole-charge interaction in GROMACS
WU Yanbin
wuyb02 at gmail.com
Wed Jun 15 23:45:04 CEST 2011
Dear GMXers,
Is there a way in GROMACS to include quadrupole-charge interaction?
Or is there a standard to way to mimic quadrupole moment using partial
charge?
Thank you.
Best,
Yanbin
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