General

NPT-Flexible framework

Started by isaaraujo

Replies: 2
Views: 44,367

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

About Atoms named xx+number in cif File which cannot be read by RASPA.

Started by Yu_Zhuochen

Replies: 1
Views: 44,297

June 13, 2023, 02:02:28 PM
by David Dubbeldam

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

Started by sridhar

Replies: 1
Views: 44,197

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

How to run the Gibbs ensemble MC simulation of 3 boxes

Started by imaeda

Replies: 3
Views: 44,175

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

Problem with pressure calculations during adsorption

Started by Temoor

Replies: 2
Views: 44,132

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

Enthalpy of adsorption

Started by Mohammad Ahmadi

Replies: 1
Views: 44,110

September 30, 2024, 01:07:58 PM
by dubbelda

No general mixing rule but I set is L-B

Started by Jacker

Replies: 1
Views: 43,785

February 26, 2025, 03:47:11 PM
by David Dubbeldam

Atomization energies in partition function for charged systems

Started by w_wonder

Replies: 1
Views: 43,675

June 13, 2023, 02:11:06 PM
by David Dubbeldam

GCMC results not exactly matching with literature

Started by Vardhan

Replies: 2
Views: 43,352

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

Parallelization of RASPA simulations with Golem

Started by nowakoww

Replies: 1
Views: 43,343

January 25, 2019, 03:59:37 PM
by nowakoww

helium void fraction

Started by alireza_hadi68

Replies: 1
Views: 43,309

September 07, 2024, 05:50:58 AM
by Lingxiao Qin

Macromolecules

Started by mms

Replies: 1
Views: 43,083

January 29, 2025, 07:21:21 PM
by David Dubbeldam

Problems installing on Ubuntu

Started by heitorabreu

Replies: 3
Views: 43,010

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

Monte carlo on biomolecules

Started by mms

Replies: 1
Views: 42,754

January 29, 2025, 07:23:07 PM
by David Dubbeldam

Grid potentials for mobile cations in MC/GCMC simulations

Started by AHF

Replies: 2
Views: 42,719

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

Question about raspa

Started by antoine

Replies: 1
Views: 42,643

February 26, 2025, 03:52:26 PM
by David Dubbeldam

Force field issue ?

Started by ibnalsham

Replies: 1
Views: 42,620

January 29, 2025, 07:19:33 PM
by David Dubbeldam

Irreproducible Partial Charges uing Qeq method

Started by AHF

Replies: 2
Views: 41,937

June 22, 2021, 06:24:08 PM
by AHF

Surface area of MgMOF-74

Started by imaeda

Replies: 1
Views: 41,920

August 20, 2020, 12:04:39 PM
by dubbelda

High-Pressure Simulations

Started by SierraEcho

Replies: 2
Views: 41,705

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