[gmx-users] bonded interaction larger than cutoff
Quyen Vu Van
vuqv.phys at gmail.com
Mon Dec 17 13:48:05 CET 2018
I add a harmonic bond between two ends of my molecule (then my molecule
will have circle shape) with hope to calculate the force opens my molecule
(force the molecule straight).
Unfortunately, when this bond is quite big, gromacs said this bonded
interaction could not be calculated.
How can I overcome this? or is there any setup to calculate
Thanks and Best regards,
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