Also, I see that you asked this question twice within 24 hours (and on a weekend to boot). Perhaps this was your mail client acting in error, but if it was deliberate we'd ask you to avoid doing so. It gives the impression of impatiently hounding us. We're volunteers, not a paid support team, and the time we can commit to the Amber mailing list is often quite limited. For some types of questions, this isn't so much of an issue, because there are many people who can answer you. For others, though, like MCPB questions, there are relatively few knowledgeable people, and you can expect a longer delay.
If you believe your question really has been overlooked, you can consider sending it a second time. But it's probably a good idea to wait for at least two or three business days (those being Monday to Friday) before doing so.
Ben
On 15/04/2012, at 10:10 PM, Ben Roberts wrote:
> 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 - 04:00:03 PDT
