Hi Dan,
thanks for the answer, that explains the behaviour.
Regards,
Anselm
Am 22.05.2013 01:03, schrieb Daniel Roe:
> Hi,
>
> Due to an error, certain AmberTools13-only cpptraj commands made it into
> the AmberTools12 manual; avgcoord is one of these. Upgrade to AT13 for this
> command.
>
> In general it is recommended to use the latest version of AT.
>
> -Dan
>
> On Tuesday, May 21, 2013, Anselm Horn wrote:
>
>> Dear all,
>>
>> I'm trying to obtain the coordinates of a geometric center of a group of
>> atoms via the avgcoord command in cpptraj, e.g.
>>
>> avgcoord :20-25.CA outfile coord.dat magnitude
>>
>> However, I obtained the error "Warning: Unknown Command avgcoord" .
>> My cpptraj is from AT12 (patched up to bugfix 35).
>>
>> I checked the AT manual of version 12 and 13, but could not find any
>> syntax errors in my input.
>>
>> Do I miss something here or is there a problem with this command in the
>> AmberTools?
>>
>>
>> Best regards,
>>
>> Anselm
>>
>>
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>
>
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Received on Wed May 22 2013 - 07:30:02 PDT
