General

Matrix Inversion, Gauss-Jordan: Singular Matrix Problem

Started by Auri

Replies: 0
Views: 7,389

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

Macromolecules

Started by mms

Replies: 1
Views: 9,435

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

list of configurational moves in .def file

Started by ae213

Replies: 2
Views: 9,987

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

Issue with the forcefield

Started by sridhar

Replies: 3
Views: 16,143

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

Issue with ExtraFrameworkMolecule

Started by Kajum Safiullin

Replies: 2
Views: 8,557

December 25, 2020, 11:41:41 AM
by Kajum Safiullin

Irreproducible Partial Charges uing Qeq method

Started by AHF

Replies: 2
Views: 8,830

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

iRASPA cannot display the density map

Started by John Walker

Replies: 1
Views: 7,903

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

Installation on ubuntu

Started by Aleksandr Volkov

Replies: 0
Views: 7,201

March 09, 2024, 11:48:36 AM
by Aleksandr Volkov

Inquiry regarding reconvening a run

Started by saif

Replies: 1
Views: 8,271

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

Inquiry regarding RASPA calculations -Chemical potential and Number of molecules

Started by Temoor

Replies: 0
Views: 7,691

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

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

Started by sridhar

Replies: 1
Views: 11,789

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: 9,284

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

How to make snapshots

Started by imaeda

Replies: 1
Views: 9,063

October 20, 2020, 06:54:17 PM
by David Dubbeldam

How to eliminate the boundary effect in GEMC simulations?

Started by Jianbo

Replies: 3
Views: 10,020

December 23, 2020, 09:20:53 PM
by David Dubbeldam

How to define cations positon from CIF but hold its "cation attribute" in RASPA

Started by ykz

Replies: 3
Views: 11,501

January 16, 2020, 06:15:21 PM
by David Dubbeldam

How to change the atom index in the CIF.file to the format that Raspa can read ?

Started by kokojiang

Replies: 0
Views: 7,248

October 24, 2023, 06:56:23 AM
by kokojiang

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

Started by w_wonder

Replies: 1
Views: 9,273

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

High-Pressure Simulations

Started by SierraEcho

Replies: 2
Views: 8,567

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

Henrys Constant output

Started by bphan

Replies: 0
Views: 7,926

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

Help with GCMC Simulation for Water Adsorption in MOF

Started by had-sham

Replies: 2
Views: 8,862

April 15, 2025, 09:01:03 AM
by Elnaz Jangodaz