AMBER Archive (2003)

Subject: AMBER: Problem generating .tpp and .rst files for a complex

From: Yogesh Sabnis (yogesh_at_orgfarm.uu.se)
Date: Fri Aug 01 2003 - 05:57:07 CDT

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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