General

about the Torsion in molecule.def file

Started by raspa666

Replies: 4
Views: 6,433

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

Mismatch between experimental and modelled data - forcefields?

Started by Xaiver

Replies: 0
Views: 4,833

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

error message on restart after crash

Started by virginia314

Replies: 1
Views: 6,033

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: 6,490

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

Henrys Constant output

Started by bphan

Replies: 0
Views: 6,331

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

list of configurational moves in .def file

Started by ae213

Replies: 2
Views: 7,794

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

Re:negative MSD slope

Started by sara abbasi

Replies: 3
Views: 8,165

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

Enthalpy of adsorption for binary mixture

Started by AHF

Replies: 1
Views: 6,829

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

Energy Drift - Cations

Started by isaaraujo

Replies: 0
Views: 6,125

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: 8,881

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

NPT Simulations

Started by isaaraujo

Replies: 1
Views: 6,387

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

NPT-Flexible framework

Started by isaaraujo

Replies: 2
Views: 7,026

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

PSD of Zeolitic systems with mobile cations

Started by AHF

Replies: 0
Views: 6,004

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

Number of molecules in GEMC box

Started by pakamore

Replies: 5
Views: 9,406

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: 7,353

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

Use RestartInitial’ to re-compute VTK file

Started by jimmy

Replies: 1
Views: 6,238

November 03, 2021, 08:39:00 AM
by David Dubbeldam

Grid potentials for mobile cations in MC/GCMC simulations

Started by AHF

Replies: 2
Views: 7,251

October 05, 2021, 07:08:43 PM
by AHF

RASPA 2.0 vs RASPA 2.0.45

Started by rshukre

Replies: 0
Views: 6,309

September 29, 2021, 08:46:07 PM
by rshukre

RASPA Simulations Directory not Found

Started by amogh

Replies: 7
Views: 12,200

September 28, 2021, 07:31:24 PM
by amogh

RASPA2 Run File

Started by al2

Replies: 1
Views: 6,310

August 31, 2021, 08:31:21 PM
by David Dubbeldam