Dear Jaso and Thomas,
Great thanks for your valuable help. I will keep an close eye on the
evaluation of the simulation results.
Best regards
Shulin
On Wed, Apr 18, 2012 at 8:16 PM, Jason Swails <jason.swails.gmail.com>wrote:
>
>
> On Apr 18, 2012, at 3:21 AM, steinbrt.rci.rutgers.edu wrote:
>
> > Hi,
> >
> > what Jason says is correct, but I doubt it is the reason for your rmsd
> > increase.
>
> For what it's worth, I echo Thomas's doubts here, but I think the advice
> you've received directly pertaining to your problem is good.
>
> Good luck,
> Jason
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
>
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Received on Wed Apr 18 2012 - 06:00:04 PDT
