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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Received on Thu Dec 01 2011 - 22:30:02 PST
