Hi Moitrayee,
Please try replacing "g03" with "gaussian" (lower case). We changed the MCPB commands to remove a perceived dependency on the version of Gaussian, but that change wasn't reflected in the documentation. Sorry for the inconvenience.
Regards,
Ben
On 14/04/2012, at 10:33 AM, moitrayee.mbu.iisc.ernet.in wrote:
> Dear Amber Users,
>
> I have installed Ambertools 1.5 and am trying to run the example on 1AMP. When I
> run the following command from run.MCPB.csh:
>
> MCPB -i 1AMP_OH_sidechain.bcl \
> -l 1AMP_OH_sidechain.bcl.log
>
> I expect to see a *.com file for Gaussian input. However, my log file shows some
> error which I could not decipher and is pasted below:
>
> ### MTK++ Info ###
> ### Function: MCPB ###
> ### Message: g03nProc
> ### ### ### ###
>
> ### ### ### ###
> ### MTK++ Error ###
> ### Function: MCPB ###
> ### Message: Unknown command: "g03nProc"
> ### ### ### ###
>
> ### ### ### ###
> ### MTK++ Info ###
> ### Function: MCPB ###
> ### Message: g03Mem
> ### ### ### ###
>
> ### ### ### ###
> ### MTK++ Error ###
> ### Function: MCPB ###
> ### Message: Unknown command: "g03Mem"
> ### ### ### ###
>
> ### ### ### ###
> ### MTK++ Info ###
> ### Function: MCPB ###
> ### Message: g03OptAndFC
> ### ### ### ###
>
> ### ### ### ###
> ### MTK++ Error ###
> ### Function: MCPB ###
> ### Message: Unknown command: "g03OptAndFC"
> ### ### ### ###
>
> ### ### ### ###
> ### MTK++ Info ###
> ### Function: MCPB ###
> ### Message: quit
> ### ### ### ###
>
> ### ### ### ###
> ### MTK++ Info ###
> ### Function: MCPB ###
> ### Message: MCPB Exited Normally
>
> Are these errors the source for not generating a *.com file. Any suggestions on
> this would be of great help.
>
> Thanks a lot in advance.
>
> Best Regards,
> Moitrayee
>
>
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Received on Sun Apr 15 2012 - 03:30:03 PDT
