Hi,
please give us a little more detail on what you actually did, instead of
what you were trying to do. Many things can go wrong in setting up a
simulation that come from e.g. naming mismatches. Please provide a list of
the commands you used, along with the results and error messages this
gave.
Working through Amber tutorials B4 and A1 may also help you here...
Kind Regards,
Thomas
> Asfa Ali wrote:
>> Hi,
>>
>> I am having a docked complex (from Autodock) of a ligand and DNA. The
>> docked
>> file is not recognised by amber, although I am using antechamber to
>> create
>> the mol2 and frcmod file of the ligand separately.
>>
>> Is there any problem with Autodock? Can anyone tell me how to use docked
>> file from Autodock for simulation in amber?
>>
>> I have checked the Amber mailing list but I didn't get any suitable
>> results.
>>
>> Kindly help.
>>
>> Asfa.
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>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>>
>
>
> _______________________________________________
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>
Dr. Thomas Steinbrecher
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854
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Received on Mon Apr 19 2010 - 09:00:03 PDT
