Previous Thread
Next Thread
Print Thread
Page 2 of 2 1 2
Re: Image Patch Issue Charmm 36 vs Charmm 34
Tigran #31812 04/23/13 09:04 PM
Joined: Oct 2008
Posts: 22
Forum Member
Offline
Forum Member
Joined: Oct 2008
Posts: 22
Thank you for your help, lennart. I applied for an account at www.charmm.org/redmine and am waiting for it to be activated.

Re: Image Patch Issue Charmm 36 vs Charmm 34
Tigran #31813 04/24/13 08:26 AM
Joined: Oct 2008
Posts: 22
Forum Member
Offline
Forum Member
Joined: Oct 2008
Posts: 22
Tigran (the original poster) and I made a much simpler test case that exhibits the same error using one 'infinite' polyethylene chain in a pure water box.

I used this testcase in the submitted report (issue #129).
Thanks again for your help!

Re: Image Patch Issue Charmm 36 vs Charmm 34
Tigran #31820 04/25/13 01:50 AM
Joined: Sep 2003
Posts: 8,499
rmv Online Content
Forum Member
Online Content
Forum Member
Joined: Sep 2003
Posts: 8,499
A fix for this problem has been posted in the "Bug Reports and Fixes" forum. CHARMM releases c38b1 and later should not need the fix, but releases c36b1-c37b2 will need it for IMPATCH to work properly.


Rick Venable
computational chemist

Re: Image Patch Issue Charmm 36 vs Charmm 34
Tigran #31821 04/25/13 03:49 AM
Joined: Oct 2008
Posts: 22
Forum Member
Offline
Forum Member
Joined: Oct 2008
Posts: 22
Thank you very much for all your help, Rick and Lennart!

Page 2 of 2 1 2

Moderated by  lennart, rmv 

Link Copied to Clipboard
Powered by UBB.threads™ PHP Forum Software 7.7.4
(Release build 20200307)
Responsive Width:

PHP: 5.6.33-0+deb8u1 Page Time: 0.010s Queries: 23 (0.006s) Memory: 0.9253 MB (Peak: 1.0107 MB) Data Comp: Off Server Time: 2020-09-30 22:46:37 UTC
Valid HTML 5 and Valid CSS