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Help with GCMC Simulation for Water Adsorption in MOF

Started by had-sham

Replies: 2
Views: 102

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

Question about raspa

Started by antoine

Replies: 1
Views: 764

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

No general mixing rule but I set is L-B

Started by Jacker

Replies: 1
Views: 763

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

Parallel computing with RASPA

Started by kaoutarUM6P

Replies: 1
Views: 2,167

January 29, 2025, 07:25:12 PM
by David Dubbeldam

Monte carlo on biomolecules

Started by mms

Replies: 1
Views: 1,383

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

Macromolecules

Started by mms

Replies: 1
Views: 1,333

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

Force field issue ?

Started by ibnalsham

Replies: 1
Views: 1,016

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

RxMC ensemble

Started by Mohammad Ahmadi

Replies: 8
Views: 7,957

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

Enthalpy of adsorption

Started by Mohammad Ahmadi

Replies: 1
Views: 3,747

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

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

Started by sridhar

Replies: 1
Views: 3,870

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

Single point calculation for a defined positions

Started by Sara

Replies: 1
Views: 2,555

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

MM3

Started by Sara

Replies: 1
Views: 2,459

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

helium void fraction

Started by alireza_hadi68

Replies: 1
Views: 3,459

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

Difficult to install RASPA3 on Ubuntu 22.04

Started by Yu_Zhuochen

Replies: 0
Views: 2,633

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

iRASPA cannot display the density map

Started by John Walker

Replies: 1
Views: 2,891

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

Defining a parametric flexible molecule in .def file

Started by gunjanauti

Replies: 1
Views: 3,959

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

The name of RASPA

Started by sara abbasi

Replies: 0
Views: 3,526

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

Installation on ubuntu

Started by Aleksandr Volkov

Replies: 0
Views: 3,851

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

Can anyone recommend some literatures about GCMC simulation？

Started by WuJH

Replies: 0
Views: 3,480

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

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

Started by kokojiang

Replies: 0
Views: 3,547

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