Can you email me your crd/top and input files OFF THE LIST? We'll be happy
to take a look ...
Ray
On Tue, Feb 22, 2011 at 11:02 AM, manikanthan bhavaraju <
manikanthanbhavaraju.gmail.com> wrote:
> I am trying to calculate binding energy of the complex using MM-PBSA and
> GBSA methods. The GBSA calculations are working fine. I have heated and
> equilibrated the system for 10ns under explicit solvent method using
> amber8.
> Now, I am trying to calculate the binding energy for the last 5ns. When I
> am running the binding_mmpbsa script I am getting the following error.
> PB bomb in pb_reslist (): maxnbr too small. As per the suggestions given in
> the prevoius amber mails and Ray, I have varied the cutres from 10, 15, 20,
> 25 ,and 30. Still I am getting the same error. What else should be done?
>
>
> manikanthan
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Received on Tue Feb 22 2011 - 18:00:09 PST
