Software:tinkergpu: Revision history

11 October 2024

• curprev 16:3516:35, 11 October 2024 Pren talk contribs 4,279 bytes +639 →Compile Tinker9

19 September 2023

• curprev 18:0018:00, 19 September 2023 Pren talk contribs 3,640 bytes +25 No edit summary

4 February 2023

• curprev 17:3417:34, 4 February 2023 Pren talk contribs 3,615 bytes +64 →Run Script Tag: Visual edit
• curprev 17:3017:30, 4 February 2023 Pren talk contribs 3,551 bytes −26 →Run Script Tag: Visual edit
• curprev 17:1917:19, 4 February 2023 Pren talk contribs 3,577 bytes +113 →Run Script

27 January 2023

• curprev 20:3420:34, 27 January 2023 Pren talk contribs 3,464 bytes +9 No edit summary
• curprev 20:2920:29, 27 January 2023 Pren talk contribs 3,455 bytes +321 →Run Script

12 January 2023

• curprev 22:5522:55, 12 January 2023 Pren talk contribs m 3,134 bytes +172 →Compile Tinker9 Tag: Visual edit

23 May 2022

• curprev 21:4521:45, 23 May 2022 Liuchw talk contribs 2,962 bytes +496 →Compile Tinker9 Tag: Visual edit
• curprev 21:4021:40, 23 May 2022 Liuchw talk contribs m 2,466 bytes +203 →Run Script Tag: Visual edit
• curprev 18:0218:02, 23 May 2022 Liuchw talk contribs 2,263 bytes −2,256 update tinker9 page Tag: Visual edit

17 May 2022

• curprev 17:1017:10, 17 May 2022 Admin talk contribs 4,519 bytes +37 No edit summary
• curprev 17:0917:09, 17 May 2022 Admin talk contribs 4,482 bytes +62 No edit summary

16 May 2022

• curprev 03:0403:04, 16 May 2022 Admin talk contribs 4,420 bytes +2 →Run
• curprev 03:0403:04, 16 May 2022 Admin talk contribs 4,418 bytes +99 →Run Tag: Visual edit: Switched

10 May 2022

• curprev 03:0703:07, 10 May 2022 Admin talk contribs 4,319 bytes +54 No edit summary
• curprev 02:5002:50, 10 May 2022 Admin talk contribs 4,265 bytes +4,265 Created page with "==Tinker9 GPU molecular dynamics== Tinker GPU simulations should use Tinker9. As of 2021, we switched to Tinker9 for GPU simulations, which is similar/consistent to Tinker CPU in terms of usage/setup, is faster than OpenMM for AMOEBA and some fixed charged force fields, and has all our new development for AMOEBA+. The setup and key files used by Tinker CPU (on this wiki page) can be directly applied to Tinker9. Set "openmp-threads 1" in the key file (this is no longer..."