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
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
>
--
With best regards
*******************************************************************************************************************
Kshatresh Dutta Dubey, PhD
Post Doctoral Fellow
Indian Institute of Technology Kanpur
Kanpur, India
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jun 25 2013 - 04:30:03 PDT
