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

-- 

================================================================== 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 ================================================================== ----------------------------------------------------------------------- The AMBER Mail Reflector To post, send mail to amber_at_scripps.edu To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu