[gmx-users] restraints in one direction

Vitaly Chaban vvchaban at gmail.com
Sat Jun 12 13:04:16 CEST 2010


Is it not possible to use gromacs restraints only in one direction,
e.g. "X" can be less than A (const) with no penalty force, but if X>A
then the force appears trying to X->A ? Maybe some artifial tricks are
possible to achieve that?

Dr. Vitaly Chaban

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