From owner-chemistry ^at^ ccl.net Tue Nov 8 13:33:00 2011 From: "Andrei Potapov asp99\a/yandex.ru" To: CCL Subject: CCL: 2D Relaxed Surface Scan?!?!?!? Message-Id: <-45845-111108113828-29386-0T/10aKR91ITypyo7sFl7A[-]server.ccl.net> X-Original-From: Andrei Potapov Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=koi8-r Date: Tue, 08 Nov 2011 20:38:18 +0400 MIME-Version: 1.0 Sent to CCL by: Andrei Potapov [asp99[a]yandex.ru] Unfortunately, it can't. I came across the same problem recently - relaxed surface scans with 2 or more coordinates and could not find the right software. ORCA can only scan one coordinate in one job. The solution could be creatig a series of job files with different values for one coordinate and scaning the other. But if more than 2 coordinates have to be scaned the number of files to be manually processed becomes to large. Hope someone will suggest a freeware tool for cordinate scans. Andrei 08.11.2011, 18:31, "Adam Kubas ad.kubas(0)gmail.com" : > Sent to CCL by: Adam Kubas [ad.kubas#,#gmail.com] > Dear Peter, > > I think ORCA can do this job: > http://www.thch.uni-bonn.de/tc/orca/ > > Adam Kubas> ššššššhttp://www.ccl.net/cgi-bin/ccl/send_ccl_message> ššššššhttp://www.ccl.net/cgi-bin/ccl/send_ccl_message> ššššššhttp://www.ccl.net/chemistry/sub_unsub.shtml> ššššššhttp://www.ccl.net/spammers.txt