Input files and parameters

Change input file when restart

Started by Haolong

Replies: 4
Views: 9,874

January 10, 2021, 03:34:49 PM
by mhaeri

CB/CFC Monte Carlo Input File

Started by hooman

Replies: 0
Views: 3,595

April 11, 2025, 06:47:04 PM
by hooman

Calculation of adsorbed liquid mixture

Started by Fan Honglei

Replies: 2
Views: 7,755

November 08, 2021, 02:38:17 AM
by Fan Honglei

Bulk Density Validation by MC

Started by Bourne

Replies: 0
Views: 5,639

August 07, 2024, 04:04:41 AM
by Bourne

Blocking pockets in MD?

Started by Kajum Safiullin

Replies: 2
Views: 7,825

October 17, 2019, 11:38:26 AM
by Kajum Safiullin

BarrierCrossing examples?

Started by haoyuan

Replies: 1
Views: 7,987

May 08, 2018, 01:38:05 PM
by David Dubbeldam

Average configuration as restart-file

Started by ae213

Replies: 1
Views: 6,719

August 31, 2019, 07:37:30 PM
by David Dubbeldam

Anisotropic volume change in Box definition

Started by Amal k

Replies: 0
Views: 259

November 13, 2025, 02:28:00 PM
by Amal k

amorphous polymer can be used as adsorbent

Started by h1h2x3

Replies: 1
Views: 6,382

March 14, 2022, 06:58:12 PM
by David Dubbeldam

About modifying the potential energy formula inside the RASPA source code

Started by Cindy

Replies: 1
Views: 6,779

May 27, 2022, 01:47:08 PM
by David Dubbeldam

1_2_ethanediol TraPPE modell

Started by Christopher

Replies: 6
Views: 13,884

November 04, 2020, 11:02:53 AM
by Christopher

"FlexibleDefinition" option is mandatory?

Started by Junran Lu

Replies: 4
Views: 12,298

March 22, 2018, 02:47:47 AM
by Junran Lu