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
Received on Tue Jun 25 2013 - 02:00:02 PDT
