Dear Sir,
Thank you for the quick reply. I can surely wait, just wanted to be sure that
you have received my reply.
My operating system is : 32 bit Ubuntu 10.04 LTS and my c++ compilers is c++
(Ubuntu 4.4.3-4ubuntu5) 4.4.3.
I would be glad to be of any help to you. Please inform me if any other details
are also required.
Thanks and Regards
Soma Ghosh
> I apologise for the blank email I just sent. I meant to say that we are working
> on putting a patch together that may fix the problem you're encountering. It's
> not one we've seen before, though. For which reason it's unlikely the fix will
> be quick or easy. You hadn't heard from us yet because we had nothing new to
> tell you.
>
> Incidentally, what operating system and C++ compiler did you use?
>
> Regards,
> Ben
>
> --
> For greater security, I support S/MIME encryption.
>
> On 11/12/2011, at 11:05 PM, "Soma Ghosh" <soma.mbu.iisc.ernet.in> wrote:
>
>> Dear Sir,
>>
>> I am resending the mail as a gentle reminder. Sorry, if I have caused an
>> inconvenience.
>>
>> Regards
>> Soma
>>> Dear Sir,
>>>
>>> I have used the latest AmberTools. I reinstalled the complete thing again to
>>> be
>>> sure. Also, I have made no changes to the 1AMP_OH_sidechain.bcl. This file is
>>> generated after running the following command:
>>>
>>>> sh genMetalFF.sh -n 1AMP_OH
>>>
>>> and the sh script is the same as available in the
>>> $AMBERHOME/AmberTools/examples/mtkpp/MCPB directory.
>>>
>>> Thanks and Regards
>>> Soma Ghosh
>>>
>>>> Dear Soma,
>>>>
>>>> Are you using the latest code within AmberTools 1.5 from
>>>> http://ambermd.org/AmberTools-get.html ?
>>>>
>>>> What did you change in the 1AMP_OH_sidechain.bcl file?
>>>>
>>>> Regards,
>>>> Martin
>>>>
>>>>
>>>> On 28 Nov 2011, at 06:01, Soma Ghosh wrote:
>>>>
>>>>> Dear AmberUsers,
>>>>>
>>>>> I am trying to build the parameter files for an amino-acid metal complex.
>>>>> To
>>>>> build the parameters, i am using MCPB as suggested in an earlier mail. The
>>>>> tool
>>>>> seems to have installed properly. However, I encounter an error when i run
>>>>> the
>>>>> following command (using the example scripts provided in the data folder)
>>>>>
>>>>>> MCPB -i 1AMP_OH_sidechain.bcl -l 1AMP_OH_sidechain.bcl.log
>>>>>
>>>>> I get the following error :
>>>>>
>>>>> terminate called after throwing an instance of 'std::logic_error'
>>>>> what(): basic_string::_S_construct NULL not valid
>>>>> Aborted
>>>>>
>>>>> I suppose it has something to do with the boost library. Could some one
>>>>> please
>>>>> suggest me some solutions. I am attaching the 1AMP_OH_sidechain.bcl file
>>>>> (however, it is the same as provided in the data folder)
>>>>>
>>>>> Thanks and Regards
>>>>> Soma Ghosh
>>>>> --
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>>>>>
>>>>> <1AMP_OH_sidechain.bcl>_______________________________________________
>>>>> AMBER mailing list
>>>>> AMBER.ambermd.org
>>>>> http://lists.ambermd.org/mailman/listinfo/amber
>>>>
>>>>
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>>>>
>>>>
>>>
>>>
>>>
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>>
>>
>>
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Received on Sun Dec 11 2011 - 21:00:03 PST
