General

Use RestartInitial’ to re-compute VTK file

Started by jimmy

Replies: 1
Views: 9,521

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

Inquiry regarding RASPA calculations -Chemical potential and Number of molecules

Started by Temoor

Replies: 0
Views: 9,587

September 28, 2023, 06:26:45 PM
by Temoor

PSD of Zeolitic systems with mobile cations

Started by AHF

Replies: 0
Views: 9,597

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

NPT Simulations

Started by isaaraujo

Replies: 1
Views: 9,678

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

ForceField Parameter for Carbon

Started by cud

Replies: 2
Views: 9,753

March 06, 2021, 11:01:15 PM
by cud

Energy Drift - Cations

Started by isaaraujo

Replies: 0
Views: 9,767

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

Henrys Constant output

Started by bphan

Replies: 0
Views: 9,770

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

Problems installing on Ubuntu

Started by heitorabreu

Replies: 3
Views: 9,853

July 13, 2021, 03:56:57 AM
by etbandung

GCMC vs MCNPT

Started by mhaeri

Replies: 1
Views: 9,877

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

Segmentation Fault When Creating Grids

Started by had-sham

Replies: 1
Views: 9,989

June 05, 2025, 12:15:49 PM
by had-sham

Phase state in MC simulation of grand canonical ensemble

Started by alexam

Replies: 1
Views: 10,019

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

Mg and K cations .def file

Started by ergrhn

Replies: 1
Views: 10,055

May 26, 2020, 05:57:06 PM
by David Dubbeldam

iRASPA cannot display the density map

Started by John Walker

Replies: 1
Views: 10,117

June 10, 2024, 10:23:58 AM
by Lingxiao Qin

Inquiry regarding reconvening a run

Started by saif

Replies: 1
Views: 10,140

June 24, 2023, 08:46:18 AM
by kokojiang

Defining a parametric flexible molecule in .def file

Started by gunjanauti

Replies: 1
Views: 10,228

May 25, 2024, 12:03:29 PM
by iwanchemist

RASPA2 Run File

Started by al2

Replies: 1
Views: 10,291

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

Running RASPA2 with Python Scripts

Started by Busra

Replies: 1
Views: 10,291

August 20, 2020, 12:09:36 PM
by David Dubbeldam

High-Pressure Simulations

Started by SierraEcho

Replies: 2
Views: 10,315

July 29, 2021, 02:40:33 PM
by SierraEcho

about the Torsion in molecule.def file

Started by raspa666

Replies: 4
Views: 10,343

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

Matrix Inversion, Gauss-Jordan: Singular Matrix Problem

Started by Auri

Replies: 0
Views: 10,411

June 24, 2025, 11:14:23 AM
by Auri