Previous Thread
Next Thread
Print Thread
Page 2 of 2 1 2
Joined: Sep 2003
Posts: 8,621
Likes: 24
rmv Online Content
Forum Member
Online Content
Forum Member
Joined: Sep 2003
Posts: 8,621
Likes: 24
Probably; it looks that way in dynio.src, but I haven't tested it yet to see how well the whole process works.


Rick Venable
computational chemist

Joined: Aug 2004
Posts: 192
E
Edo Offline OP
Forum Member
OP Offline
Forum Member
E
Joined: Aug 2004
Posts: 192
Hi,
I've rerun the simulations with 'random clcg' invoked in the script and this gets rid of the error in the correlation function (at least from what I've simulated up to 1.5*10^6 ps of simulation time). So it was the short period of the old random number generator that caused the original problem.

Thanks for your help Rick and Lennart. I'm glad to hear that the new random number generator will be default and not need to be invoked explicitly in future releases of CHARMM.
Best wishes,
Ed

Page 2 of 2 1 2

Moderated by  lennart, rmv 

Link Copied to Clipboard
Powered by UBB.threads™ PHP Forum Software 7.7.5
(Release build 20201027)
Responsive Width:

PHP: 7.3.31-1~deb10u1 Page Time: 0.009s Queries: 19 (0.006s) Memory: 0.7346 MB (Peak: 0.7911 MB) Data Comp: Off Server Time: 2022-11-30 13:22:56 UTC
Valid HTML 5 and Valid CSS