Dear Sir,
I am resending the e-mail as I am not sure if you have received it.
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
>>> --
>>> This message has been scanned for viruses and
>>> dangerous content by MailScanner, and is
>>> believed to be clean.
>>>
>>> <1AMP_OH_sidechain.bcl>_______________________________________________
>>> AMBER mailing list
>>> AMBER.ambermd.org
>>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>>
>> --
>> This message has been scanned for viruses and
>> dangerous content by MailScanner, and is
>> believed to be clean.
>>
>>
>
>
>
> --
> This message has been scanned for viruses and
> dangerous content by MailScanner, and is
> believed to be clean.
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
This message has been scanned for viruses and
dangerous content by MailScanner, and is
believed to be clean.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Dec 05 2011 - 22:00:03 PST
