AMBER Archive (2003)

Subject: building molecules by script files for leap

From: Dvira Segal (dvira_at_post.tau.ac.il)
Date: Wed Jan 08 2003 - 10:07:57 CST

I would like to know if there is any tutorial teaching how to build a
source file for xleap/tleap.
For example I want to build hexane, but instead of drawing it, i want to
write the commands as a script file for leap.
I know there is a way, but the Amber7-User-Manual is not informative
enough for me.
Maybe there is an already written clear example, and I can study from it.

Thank you,

 Dvira Segal

(Thanks for the answer about small molecules! It helped.)

_________________________________________________________________
-----------------------------------------------------------------
 Dvira Segal
 School of Chemistry, Tel Aviv University
 Tel Aviv, 69978 ISRAEL

 Phone: 972-3-640 7634 Fax: 972-3-642 3765
 email: dvira_at_post.tau.ac.il
 http://femto.tau.ac.il/~dvira
__________________________________________________________________
------------------------------------------------------------------