WebMO - Computational chemistry on the WWW
Recent news

WebMO 10.0 is now available for free download!

WebMO 10.0 Pro and Enterprise have a variety of additional features and is available for purchase.

WebMO can now be installed on Windows, Mac, and Unix servers!

April 7, 2020

MOPAC atom limit? Log Out | Topics | Search
Moderators | Edit Profile

WebMO Support Forum » Administering WebMO » Other » MOPAC atom limit? « Previous Next »

Author Message
Bob Gotwalsw
Posted on Saturday, July 30, 2005 - 9:03 am:   

Jobs fail with a molecule greater than 80 atoms in MOPAC. Is this a known MOPAC limitation, or something in WebMO. If the latter, can it be modified?
Posted on Sunday, July 31, 2005 - 1:48 pm:   

This is a MOPAC limitation, but one that can easily be modified by downloading the source code, changing the SIZES files, and then recompiling the source code.

Add Your Message Here
Username: Posting Information:
This is a public posting area. Enter your username and password if you have an account. Otherwise, enter your full name as your username and leave the password blank. Your e-mail address is optional.
Options: Post as "Anonymous"
Enable HTML code in message
Automatically activate URLs in message

Topics | Last Day | Last Week | Tree View | Search | Help/Instructions | Program Credits Administration