AMBER Archive (2003)

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

From: David A. Case (case_at_scripps.edu)
Date: Fri Aug 01 2003 - 10:32:24 CDT

On Fri, Aug 01, 2003, Yogesh Sabnis wrote:
>
> 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.

This is not a useful problem report. You don't say anything about what you
did or what messages the program gave you.

If you have an inhibitor that is not a standard peptide, you will need
to generate a description of it, either by hand or through a program like
antechamber. But I have no way of knowing whether this is your problem or
not.

..dac 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
10550 N. Torrey Pines Rd.         |  home page:                   
La Jolla CA 92037  USA            |    http://www.scripps.edu/case
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