it's pretty well documented in the manual and examples in the test
cases- look at the positional restraints, set by ntr=1. it will do
exactly what you need.
On Fri, Apr 17, 2009 at 10:30 PM, Rilei Yu <yulaomao1983.yahoo.com.cn> wrote:
>
> Dear AMBER users,
>
> I want to perform MD on protein-ligand complex to consider the flexibility of the side chains in the binding pocket. So I want to restraint the backbone of the receptor, while the side chains are not restrainted. Can anyone tell me some script that can carry out this function?
>
> Best Regards,
> Rilei Yu
>
>
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Received on Wed May 20 2009 - 11:32:58 PDT
