General

about the Torsion in molecule.def file

Started by raspa666

Replies: 4
Views: 9,329

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

RASPA 2.0 vs RASPA 2.0.45

Started by rshukre

Replies: 0
Views: 9,982

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

Inquiry regarding reconvening a run

Started by saif

Replies: 1
Views: 9,252

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

MM3

Started by Sara

Replies: 1
Views: 10,558

September 30, 2024, 10:49:15 AM
by dubbelda

Single point calculation for a defined positions

Started by Sara

Replies: 1
Views: 11,697

September 30, 2024, 10:52:36 AM
by dubbelda

The name of RASPA

Started by sara abbasi

Replies: 0
Views: 8,181

March 18, 2024, 08:07:55 PM
by sara abbasi

Re:negative MSD slope

Started by sara abbasi

Replies: 3
Views: 11,509

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

Heat of adsorption calculation problem

Started by SEB

Replies: 0
Views: 7,940

June 10, 2025, 05:18:41 PM
by SEB

parameter input

Started by sfritzsche

Replies: 1
Views: 8,162

June 08, 2021, 02:36:34 PM
by David Dubbeldam

High-Pressure Simulations

Started by SierraEcho

Replies: 2
Views: 9,454

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

Molfraction problem in adsorption simulation of multicomponent mixtures

Started by Sirius Black

Replies: 1
Views: 16,242

August 08, 2025, 07:37:49 AM
by KN

Error with RASPA2 with 5185 atoms model

Started by sree.h

Replies: 0
Views: 7,272

April 22, 2025, 11:50:05 AM
by sree.h

Issue with the forcefield

Started by sridhar

Replies: 3
Views: 17,780

September 21, 2018, 05:44:04 PM
by David Dubbeldam

Inaccurate Adsorption Isotherms obtained for H2 Adsorption on IRMOF-1 at 77K

Started by sridhar

Replies: 1
Views: 13,529

September 30, 2024, 10:58:16 AM
by dubbelda

Error loading VTK output and lack of H on methane

Started by sundberg

Replies: 3
Views: 13,086

June 13, 2023, 01:02:20 PM
by David Dubbeldam

Inquiry regarding RASPA calculations -Chemical potential and Number of molecules

Started by Temoor

Replies: 0
Views: 8,734

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

Problem with pressure calculations during adsorption

Started by Temoor

Replies: 2
Views: 10,392

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

Quantitative density profile in a small pore.

Started by Temoor

Replies: 0
Views: 8,363

September 14, 2023, 07:34:10 PM
by Temoor

GCMC results not exactly matching with literature

Started by Vardhan

Replies: 2
Views: 11,578

December 04, 2018, 11:49:26 AM
by Vardhan

'CrashRestart' taking long time

Started by Vardhan

Replies: 5
Views: 17,035

December 04, 2018, 10:18:32 AM
by David Dubbeldam