Dear ,
In the following
&wt type='REST', istep1=1,istep2=300000,value1=1.0,value2=1.0, /
&wt type='END' /
You can change the value of istep1 and istep 2 to a particlar step at which
a particular value of the Rstraint is needed and which is defined through
the weights in value 1 and value 2 .
Subsequently , you can add many lines which will have varying istep 1 and
istep 2 and value 1 and value 2 .
Thanks!
On Fri, May 13, 2016 at 3:16 PM, Vasantha Kumar <vin.vasanth.gmail.com>
wrote:
> Dear AMBER users
>
> Does any have script (links) to gradually remove NMR restraints during MD
> simulation.
>
> thanks in advance
>
> Vince
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Received on Fri May 13 2016 - 03:30:04 PDT
