[gmx-users] position / distance restraint involving more than one molecule

Dr. Vitaly Chaban vvchaban at gmail.com
Tue Nov 13 15:59:21 CET 2012

Dear All -

Is it possible in the current gromacs to apply position restraints NOT
in respect to the initial position of the particle, but in respect to
an explicitly specified position within a box, such as (0,0,0) or
(LBOX/2, LBOX/2, LBOX/2).

Perhaps, some wise tricks exist...

Thank you so much,

Dr. Vitaly V. Chaban
MEMPHYS - Center for Biomembrane Physics
Department of Physics, Chemistry and Pharmacy
University of Southern Denmark
Campusvej 55, 5230 Odense M, Denmark

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