Hi Kshatresh,
Thanks so much. actually adding "CVS_format=0" did solve the problem,
now the output file looks fine.
Thanks a lot
M Elkot
On 2013/06/25 1:03 PM, Kshatresh Dutta Dubey wrote:
> Hi,
>
> I didn't go through the results but your final output is in csv format
> which is a bit unfriendly to you. If you want to save it in friendly manner
> use csv_format=0 in the decompostion namelist.
>
>
> On Tue, Jun 25, 2013 at 2:23 PM, Mahmoud Soliman <mahmoudelkot.gmail.com>wrote:
>
>> Dear Amber users/experts,
>>
>> I ran per-residue decomposition using PBMMSA-GB using the script below,
>> however, the job terminates successfully, the output file
>> "FINAL_DECOMPOSITION.dat" format looks a bit funny (attached). is it how it
>> should look like? Any help would be appreciated.
>>
>> Input file for running PB and GB in serial
>> &general
>> startframe=1, endframe=2000, interval=20, keep_files=0
>> /
>> &gb
>> igb=5,saltcon=0.15,
>> /
>> #&pb
>> #istrng=0.100,
>> #/
>> &decomp
>> idecomp=1, print_res="561;184 ",
>> dec_verbose=1,
>> /
>> ~
>>
>>
>>
>> -----------------
>> Best wishes
>> M Elkot
>>
>> _______________________________________________
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>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>>
>
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Received on Tue Jun 25 2013 - 05:30:02 PDT
