Dear Prof. Case,
I have installed AmberTools12 in my system and I am running antechamber
with ambertools12 but I am still getting the error. I have checked the
Variable too, it is not set to wrong location. Can you please suggest me
something I do to remove the error?
Would be highly thankful to you as I am stuck to this one point from so
many days.
Best Regards
On Sat, May 12, 2012 at 11:25 AM, Asma Abro 28-FBAS/MSBI/F09 <
asma.msbi28.iiu.edu.pk> wrote:
>
> I am sorry Dr. Case, I am not getting this thing that how the AMBERHOME is
> set to wrong location? Actually I am just going to run my first simulation
> so I really don't have the detail idea of these things.
>
> I'll install ambertools12 as we have an older version. Thanks for your
> suggestions.
> On Fri, May 11, 2012 at 10:45 PM, David A Case <case.biomaps.rutgers.edu>wrote:
>
>> On Fri, May 11, 2012, Asma Abro 28-FBAS/MSBI/F09 wrote:
>>
>> > We have Amber10 in our lab. So this command won't work for that? Can you
>> > please help me what else should I follow for Ligand-protein docked
>> complex
>> > simulation?
>>
>> You output indicates that you are using AmberTools version 1.x or version
>> 12.
>> If that is not the case, please go ahead and download AmberTools12 and use
>> the antechamber that is provided there.
>>
>> You didn't really say anything about my guess that the problem you are
>> having
>> arises from having AMBERHOME set to the wrong location. You can
>> certainly use
>> antechamber to prepare the input files, then use Amber10's sander or
>> pmemd to
>> run the simulation.
>>
>> ...hope this helps...dac
>>
>>
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>>
>
>
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Received on Tue May 15 2012 - 03:30:03 PDT
