General

Atomization energies in partition function for charged systems

Started by w_wonder

Replies: 1
Views: 12,842

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

Inquiry regarding reconvening a run

Started by saif

Replies: 1
Views: 10,141

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

Density Histogram from GCMC simulation for four-component gasmixture adsorption

Started by Cigdem

Replies: 0
Views: 9,194

August 16, 2023, 08:32:36 AM
by Cigdem

Quantitative density profile in a small pore.

Started by Temoor

Replies: 0
Views: 9,196

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

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

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

Started by kokojiang

Replies: 0
Views: 9,048

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

Can anyone recommend some literatures about GCMC simulation？

Started by WuJH

Replies: 0
Views: 8,678

December 21, 2023, 04:03:29 PM
by WuJH

Installation on ubuntu

Started by Aleksandr Volkov

Replies: 0
Views: 8,950

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

The name of RASPA

Started by sara abbasi

Replies: 0
Views: 9,018

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

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

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

Difficult to install RASPA3 on Ubuntu 22.04

Started by Yu_Zhuochen

Replies: 0
Views: 11,098

June 20, 2024, 12:10:33 PM
by Yu_Zhuochen

helium void fraction

Started by alireza_hadi68

Replies: 1
Views: 13,959

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

MM3

Started by Sara

Replies: 1
Views: 11,738

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

Single point calculation for a defined positions

Started by Sara

Replies: 1
Views: 12,815

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

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

Started by sridhar

Replies: 1
Views: 14,852

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

Enthalpy of adsorption

Started by Mohammad Ahmadi

Replies: 1
Views: 14,623

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

RxMC ensemble

Started by Mohammad Ahmadi

Replies: 8
Views: 31,357

September 30, 2024, 01:52:27 PM
by dubbelda

Force field issue ?

Started by ibnalsham

Replies: 1
Views: 12,616

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

Macromolecules

Started by mms

Replies: 1
Views: 12,750

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