Hi Ben,
Thanks a lot for your reply.
I am sorry that I was impatient on this. I really understand what you said. I
was afraid that the question was missed. However, I should have waited longer as
you have suggested. My sincere apologies for not being more patient.
I will try out your suggestion of changing g03 to "gaussian".
Many Thanks and Best Regards,
Moitrayee
> 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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>>
>
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Received on Sun Apr 15 2012 - 09:30:03 PDT
