[AMBER] COM

From: Olena Dobrovolska <olena.dobrovolska.biotech.ntnu.no>
Date: Tue, 27 Mar 2012 15:01:27 +0000

Dear AMBER users,



I have a problem in my energy minimization output file (attached):

in the final results part there is this COM instead of the a certain atom name as it should be. I also have a huge (663) distance penalty value, although the CYANA output files, used in AMBER as inputs, have target function around 4, and RMSD 0.5.

I guess this COM in AMBER output file contributes to the huge distance penalty. Does anybody know where this COM comes from (the RST file is attached too)? and how it is possible to overcome this problem?



Thank you,

Olena


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Received on Tue Mar 27 2012 - 08:30:03 PDT
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