General

How the partition function for propene in the RASPA manual was obtained?

Started by w_wonder

Replies: 1
Views: 25,284

June 13, 2023, 12:50:29 PM
by David Dubbeldam

Problem with pressure calculations during adsorption

Started by Temoor

Replies: 2
Views: 26,379

June 13, 2023, 12:47:02 PM
by David Dubbeldam

GCMC vs MCNPT

Started by mhaeri

Replies: 1
Views: 23,604

June 13, 2023, 12:45:10 PM
by David Dubbeldam

Very beginner question

Started by extremesonic01

Replies: 2
Views: 27,797

June 13, 2023, 12:40:19 PM
by David Dubbeldam

RxMC ensemble

Started by Mohammad Ahmadi

Replies: 0
Views: 22,083

June 13, 2023, 08:15:32 AM
by Mohammad Ahmadi

about the Torsion in molecule.def file

Started by raspa666

Replies: 4
Views: 24,612

June 12, 2023, 12:35:05 PM
by raspa666

Mismatch between experimental and modelled data - forcefields?

Started by Xaiver

Replies: 0
Views: 20,311

April 04, 2023, 03:12:19 AM
by Xaiver

error message on restart after crash

Started by virginia314

Replies: 1
Views: 22,551

January 11, 2023, 08:08:05 PM
by David Dubbeldam

Phase state in MC simulation of grand canonical ensemble

Started by alexam

Replies: 1
Views: 23,037

September 25, 2022, 05:58:14 PM
by David Dubbeldam

Henrys Constant output

Started by bphan

Replies: 0
Views: 22,457

June 23, 2022, 07:46:06 PM
by bphan

list of configurational moves in .def file

Started by ae213

Replies: 2
Views: 27,186

June 23, 2022, 06:17:44 PM
by ae213

Re:negative MSD slope

Started by sara abbasi

Replies: 3
Views: 28,269

June 04, 2022, 07:06:06 PM
by David Dubbeldam

Enthalpy of adsorption for binary mixture

Started by AHF

Replies: 1
Views: 24,194

March 14, 2022, 07:13:39 PM
by David Dubbeldam

Energy Drift - Cations

Started by isaaraujo

Replies: 0
Views: 23,344

January 08, 2022, 09:52:04 AM
by isaaraujo

Why the excess adsorption is negative, absolute adsorption is zero when doing MC

Started by YadiJiang

Replies: 2
Views: 27,322

December 09, 2021, 08:06:45 AM
by sara abbasi

NPT Simulations

Started by isaaraujo

Replies: 1
Views: 23,583

December 02, 2021, 10:48:39 AM
by David Dubbeldam

NPT-Flexible framework

Started by isaaraujo

Replies: 2
Views: 25,776

December 01, 2021, 04:29:31 PM
by isaaraujo

PSD of Zeolitic systems with mobile cations

Started by AHF

Replies: 0
Views: 22,254

November 26, 2021, 07:06:10 PM
by AHF

Number of molecules in GEMC box

Started by pakamore

Replies: 5
Views: 29,635

November 03, 2021, 08:47:05 AM
by David Dubbeldam

How to run the Gibbs ensemble MC simulation of 3 boxes

Started by imaeda

Replies: 3
Views: 25,914

November 03, 2021, 08:43:14 AM
by David Dubbeldam