Previous Thread
Next Thread
Print Thread
Page 2 of 2 1 2
bucknerj #37820 03/18/20 03:12 PM
Joined: Apr 2013
Posts: 37
B
Forum Member
OP Offline
Forum Member
B
Joined: Apr 2013
Posts: 37
Description
This patch fixes reading rtf files with more than 1000 lonepair entries. It also removes the C null characters from the username in the banner.

Version Compatibility
This patch is for c44b2.

Instructions
Apply the patch from CHARMM source root with
patch -p1 < patch.txt
and then compile as usual.

Attached Images
patch.txt (1.89 KB, 435 downloads)
bucknerj #38354 09/17/21 02:19 PM
Joined: Apr 2013
Posts: 37
B
Forum Member
OP Offline
Forum Member
B
Joined: Apr 2013
Posts: 37
Description
This patch fixes GPU excelerated protein grid potential generation using the 'fftg pgen' command:
CCELEC parameters are set to float for the electrostatic grid calculation, and the soft-core potential for the VDW grids is corrected.

Version Compatibility
This patch is for c46b1.

Instructions
Apply the patch from CHARMM source root with
patch -p1 < patch.txt
and then compile as usual.

Attached Images
patch.txt (1.88 KB, 390 downloads)
SHA1: ca6227767ae822dfddaf82387554f449201cc817
Page 2 of 2 1 2

Moderated by  BRBrooks, bucknerj, 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~deb10u5 Page Time: 0.012s Queries: 21 (0.008s) Memory: 0.7360 MB (Peak: 0.8098 MB) Data Comp: Off Server Time: 2023-12-10 17:58:15 UTC
Valid HTML 5 and Valid CSS