[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: Which loop energy?


The final energy score for loops  will be reported in the header of each
of the the coordinate files (*.B*) in the line of 

the lower the better: when grabbing and sorting pay attention that  it
can be negative as well.

J Simms wrote:
> Hi all,
>         I have recently started to model GPCRs, but as with everyone
> else I am having trouble with the loops. I have followed the tutorials
> , kindly given, and have resulted with a number of files with different
> loops starting and ending in different locations. I have investingated
> the log files for energy terms, as I understand it the loop model with
> the lowest energy term is a good starting point. My problem which
> energy term in the log file do I use, as there seems to be a number
> of energy terms even for the same loop model number.
> >       Many thanks for any help
> >       John
> >

Andras Fiser, PhD            # phone: (212) 327 7216
The Rockefeller University   # fax:   (212) 327 7540 
Box 270, 1230 York Avenue    # e-mail:
New York, NY 10021-6399, USA # http://salilab.org/~andras