AMBER Archive (2003)

Subject: Re: AMBER: antechamber problem

From: David A. Case (case_at_scripps.edu)
Date: Wed Aug 20 2003 - 17:07:30 CDT


On Wed, Aug 20, 2003, Qiang Lu wrote:
>
> When I convert from pdb to prepin file, it only convert 18 atoms, other
> 22 are labeled X like follow
> I think I need to increase the limit of antechamber, could you please
> tell me how to do it.

We can't help you without more information; you probably need to send the pdb
file you used (or look to see if there is something odd after atom # 18).

...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