[molpro-user] optg with

Neeraj Rai neerajrai at gmail.com
Fri Aug 24 22:12:12 BST 2012

Dear molpro users,

   Is there a way to freeze cartesian coordinates of selected atoms during
geometry optimization in molpro? Thanks.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20120824/ce0d41f5/attachment.html>

More information about the Molpro-user mailing list