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 - 14:30:03 PST
