On Thu, Jun 11, 2015, Lara rajam wrote:
>
> I am trying to do the Distance restrain simulation .
> I have fixed two atoms with their atom number and I would like to decrease
> the distance between these two .
It's not clear what you mean here. If you just want to decrease the
current distance to a smaller (fixed) "target" value, Jason's reply should
help.
If you want the target distance to decrease during the course of the
simulation, see the "ifvari" variable (p. 447 in the 2015 Amber Reference
Manual.
....dac
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Received on Fri Jun 12 2015 - 06:00:05 PDT
