Re: [AMBER] MMPBSA nmode warning

From: Sangita Kachhap <sangita.imtech.res.in>
Date: Sat, 28 May 2011 22:15:37 +0530 (IST)

Thanks for reply

I have got entropic result this warning is written at the end of output file.

Here I am attaching energy output file.


> My guess is since you got this warning message that you did not get any
> entropic results with your calculation, is that correct? In that case, you
> will need to fix this problem in order to get your final results.
>
> -Bill
>
> On Sat, May 28, 2011 at 5:41 AM, Sangita Kachhap <sangita.imtech.res.in>wrote:
>
>>
>> Hello All
>>
>> I am doing MMPBSA nmode analysis. Job has completed successfully but with a
>> warning.
>>
>> WARNINGS:
>> Not all of your snapshots minimized within tolerable limits for nmode
>>
>> Will it affect my final result?
>>
>> With regard
>>
>> Sangita Kachhap
>> JRF
>> BIC,IMTECH
>> CHANDIGARH
>>
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
>
>
> --
> Bill Miller III
> Quantum Theory Project,
> University of Florida
> Ph.D. Graduate Student
> 352-392-6715
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>


Sangita Kachhap
JRF
BIC,IMTECH
CHANDIGARH

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Received on Sat May 28 2011 - 10:00:02 PDT
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