That you will have to ask the administrators of your computers. Find
out from them how you can install a local copy of Amber in your own
account, how you can compile it, etc.
Gustavo.
On 8/29/07, WANG,YING <wangying.ufl.edu> wrote:
> Hi, Thanks very much!!
> Yes, changing the initial velocity is possible.
> Yes, I would like to change the code to fit my purpose. Now I
> connect to the computing center of our univerisity to run amber.
> Is it possible to add a subroutine or change the original code of
> amber?
> Thanks very much to reply my question!!
>
>
> Ying
>
>
> >
> > Give an initial velocity is possible - all you need to do is to
> > change
> > the restart file by hand. (Look into
> > http://amber.scripps.edu/formats.html#restart for details).
> >
> > As far as keeping the velocity fixed during the simulation, I
> > don't
> > think it is possible without changing the code, but I hope others
> > will
> > correct me if I'm wrong.
> >
> > Gustavo.
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> >
>
>
>
>
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Received on Sun Sep 02 2007 - 06:07:10 PDT
