General

Question about raspa

Started by antoine

Replies: 1
Views: 525

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: 571

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

Force field issue ?

Started by ibnalsham

Replies: 1
Views: 831

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

Macromolecules

Started by mms

Replies: 1
Views: 1,158

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

Monte carlo on biomolecules

Started by mms

Replies: 1
Views: 1,206

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

Parallel computing with RASPA

Started by kaoutarUM6P

Replies: 1
Views: 1,969

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

MM3

Started by Sara

Replies: 1
Views: 2,289

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

Single point calculation for a defined positions

Started by Sara

Replies: 1
Views: 2,375

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

Difficult to install RASPA3 on Ubuntu 22.04

Started by Yu_Zhuochen

Replies: 0
Views: 2,456

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

iRASPA cannot display the density map

Started by John Walker

Replies: 1
Views: 2,708

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

RxMC ensemble

Started by Mohammad Ahmadi

Replies: 0
Views: 2,924

June 13, 2023, 08:15:32 AM
by Mohammad Ahmadi

Mismatch between experimental and modelled data - forcefields?

Started by Xaiver

Replies: 0
Views: 2,929

April 04, 2023, 03:12:19 AM
by Xaiver

helium void fraction

Started by alireza_hadi68

Replies: 1
Views: 3,275

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

Quantitative density profile in a small pore.

Started by Temoor

Replies: 0
Views: 3,300

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

Can anyone recommend some literatures about GCMC simulation？

Started by WuJH

Replies: 0
Views: 3,312

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

The name of RASPA

Started by sara abbasi

Replies: 0
Views: 3,353

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

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

Started by kokojiang

Replies: 0
Views: 3,382

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

Density Histogram from GCMC simulation for four-component gasmixture adsorption

Started by Cigdem

Replies: 0
Views: 3,427

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

Inquiry regarding RASPA calculations -Chemical potential and Number of molecules

Started by Temoor

Replies: 0
Views: 3,529

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

Problems on Compiling RASPA2

Started by LHZF

Replies: 0
Views: 3,541

May 01, 2021, 10:10:58 PM
by LHZF