On Sat, Nov 23, 2013, X Sun wrote:
>
> polymer
> &cntrl
> imin = 0, irest = 1, ntx = 7,
> ntb = 2, pres0 = 1.0, ntp = 1,
> taup = 2.0,
> cut = 10.0, ntr = 0,
^^^^^^^^^
This is your error: you must set ntr=1 in order for the restraints to become
active.
....dac
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Received on Sat Nov 23 2013 - 17:30:02 PST
