Subject: Sander From: sara nuņez (sara1234_at_mixmail.com) Date: Mon Jan 15 2001 - 09:55:29 CST
I would like to know if there is a way to extract the coordinates from a NSTEP in the minimisation (sander) which is not the last step (i.e. restrst)
Does someone know if this is possible?
Thanks
Tu correo gratis en MixMail http://www.mixmail.com Crea o sube tu web personal en http://espacio.ya.com
webmaster- modified on January 30, 2009