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-- 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 >>>> -- >>>> 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