Subject  / Started by |
Replies / Views | Last post | ||
|---|---|---|---|---|
|
|
0 Replies
64 Views |
January 17, 2021, 05:48:15 PMby gudjognson82 |
|
|
|
|
4 Replies
1677 Views |
March 22, 2018, 02:47:47 AM by Junran Lu |
|
|
|
|
1_2_ethanediol TraPPE modell
Started by Christopher |
6 Replies
754 Views |
November 04, 2020, 11:02:53 AM by Christopher |
|
|
|
Average configuration as restart-file
Started by ae213 |
1 Replies
584 Views |
August 31, 2019, 07:37:30 PM by David Dubbeldam |
|
|
|
BarrierCrossing examples?
Started by haoyuan |
1 Replies
979 Views |
May 08, 2018, 01:38:05 PM by David Dubbeldam |
|
|
|
Blocking pockets in MD?
Started by Kajum Safiullin |
2 Replies
668 Views |
October 17, 2019, 11:38:26 AM by Kajum Safiullin |
|
|
|
0 Replies
3 Views |
January 17, 2021, 10:48:08 AM by ninabee97 |
|
|
|
|
Change input file when restart
Started by Haolong |
4 Replies
624 Views |
January 10, 2021, 03:34:49 PM by mhaeri |
|
|
|
Charge equilibration for MOFs
Started by ignas |
3 Replies
860 Views |
October 24, 2020, 08:59:20 PM by behra |
|
|
|
ChargeFromChargeEquilibration
Started by anne |
4 Replies
1988 Views |
January 28, 2019, 07:57:40 PM by David Dubbeldam |
|
|
|
chemical potential in input file
Started by ae213 |
2 Replies
1207 Views |
October 01, 2018, 08:06:52 PM by ae213 |
|
|
|
Choosing space group
Started by Eliyhau |
1 Replies
515 Views |
April 09, 2020, 09:42:02 AM by David Dubbeldam |
|
|
|
CIF files help
Started by petersbk |
3 Replies
1443 Views |
July 06, 2019, 04:24:19 PM by David Dubbeldam |
|
|
|
1 Replies
522 Views |
August 31, 2019, 07:32:41 PM by David Dubbeldam |
|
|
|
|
Configuration Files
Started by arsgk |
1 Replies
888 Views |
November 26, 2018, 06:54:08 PM by David Dubbeldam |
|
|
|
Continuing cycles
Started by nithin1532 |
1 Replies
616 Views |
July 06, 2019, 04:26:03 PM by David Dubbeldam |
|
|
1 Replies
861 Views |
July 06, 2019, 04:31:16 PM by David Dubbeldam |
|
|
|
|
2 Replies
525 Views |
July 14, 2020, 10:47:07 PM by manuelbenavent |
|
|
|
|
Density by NPT MC and MD
Started by ae213 |
1 Replies
447 Views |
August 20, 2020, 12:18:20 PM by dubbelda |
|
|
|
Error in connectivity
Started by Monica_Gao |
3 Replies
135 Views |
December 27, 2020, 08:46:41 AM by Monica_Gao |
Normal Topic
Hot Topic (More than 15 replies)
Very Hot Topic (More than 25 replies)
Locked Topic
Sticky Topic
Poll