[gmx-users] A question about positiont constraint

[yang zaixing]

Dear Groamcs
user,



I'm trying to do something about peptides aggregation, but the timescale is
unendurable.
A paper has ever refered that by the using of position constraint can
greatly reduce the
timescale for the appearance of anti-parallel beta-sheet conformation of
peptides.
Now,i want to constraint the positions of the peptides
by
harmonic coupling [the spring constant, kc, is 0.03 kcal/(mol A°
)]
between the center of the water box and the oligomer center of
mass.


Does anyone know how to add this
constraint?


Thanks!
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