Hello,
I have a docked complex from QXP/FLO+ program from Colin McMartin. The kind
of output the program gives me is a binary file, but I can save it as a pdb
file. Then when I get it into Xleap, it does not generate a .tpp and .rst
file. Could you tell me where I am going wrong and what can be done so that
I could generate the desired files.
My final goal is to calculate Lennard-Jones and electrostatic interaction
energies between each residue and then eventually between the inhibitor and
each residue.
I appreciate any kind of help.
Thank you.
Kind regards,
Yogesh
Yogesh Sabnis, Ph.D
Box 574
Avd. Org. Farm. Kemi,
BMC, Husargatan 3,
SE-751 23 Uppsala
Sweden
Phone: +46 18 471 5012 (Work)
Fax: +46 18 471 4474
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Received on Fri Aug 01 2003 - 12:53:01 PDT
