Re: [AMBER] Analysis of results

From: Gulsevin,Alican <agulsevin.chem.ufl.edu>
Date: Mon, 17 Oct 2016 03:54:29 +0000

Could it be that you're trying to run a perl script with the "bash" command? Did you try "perl" process_mdout.perl or "bash" process_mdout.perl?

Best,
Alican

Sent from my iPhone

> On Oct 16, 2016, at 11:49 PM, Stacyann Nelson <mitize2000.yahoo.com> wrote:
>
> Hi Hai,
> Thank you for your response.
> I am using amber/15
> I am new to molecular dynamics what do you mean by source amber.sh?
> I have module load amber.
> I search the bin and no perl script.
> Regards Stacy
>
>
>
> Sent from Yahoo Mail on Android
>
> On Sun, Oct 16, 2016 at 11:36 PM, Hai Nguyen<nhai.qn.gmail.com> wrote: hi,
>
> which version of amber you are using? have you sourced amber.sh yet?
> That perl script is normally in *$AMBERHOME/bin*
>
> cheers
> Hai
>
> On Sun, Oct 16, 2016 at 11:14 PM, Stacyann Nelson <mitize2000.yahoo.com>
> wrote:
>
>> Dear All,
>>
>> I ran MD simulations to equilibrate a protein strand and now I would like
>> to analyze the results. However using the process_mdout. perl from the
>> tutorial is giving the following error on Comet.
>>
>> -bash: process_mdout.perl: command not found
>>
>> My question is how can I get this into my path on comet to run the
>> analysis?
>>
>> Regards
>>
>> Stacy
>>
>>
>>
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>>
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Received on Sun Oct 16 2016 - 21:00:03 PDT
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