From: SCM Digest Robot <support_at_email.domain.hidden>
Date: Thu, 19 Oct 2006 07:00:01 +0200
X-Mailer: PHP

Dear adf-list,

As you requested, here is the latest digest of messages posted on SCM forums. Please come and join the discussion!

---

Forum: ADF and ADF-GUI discussions

Topic: Gradients using large fragments and a few GEOVAR coord

Link	Post Time	Author	Message Excerpt
356	18 Oct 2006, 02:10 PM CEST	mananes	For a system, of which a large part is frozen as a fragment f=XXX in the ATOMS list, and only a small part of the geometry of the system is to be optimized using the GEOVAR deffinition of the coordinates and the option OPTIM selected in a GEOMETRY calculation, it looks like ADF calculates ALL the gradients, and not only those related to the choosen coordinates in the list GEOVAR. Is it possible to reduce the calculations of the gradients only to those coordinates that one wants to optimize? We want to optimize only a small part of the geometry of the large aggregate. Thanks Dr A Mañanes

---

Your digest options:

Format of the Digest: HTML
Show Message Text: YES
Show My Messages: YES
Digest Frequency: DAY
Show only new messages since last time I logged in: FALSE
Send digest if no new messages: NO
Time digest sent (based on time zone in your profile): 7 AM
Maximum characters per message in digest: 32000

---

This digest is being sent to registered members of SCM forums and only because you explicitly requested it. SCM is completely commercial free. Your email address is never disclosed to outside parties. See our FAQ for more information on our privacy policies. You can change or delete your subscription by logging into SCM from the Digest Page. (You must be logged in to change your digest settings.) If you have questions or feedback on the format of this digest please send it to the SCM Webmaster.

Received on 2006-10-19 07:00:01