General

Error with RASPA2 with 5185 atoms model

Started by sree.h

Replies: 0
Views: 8,377

April 22, 2025, 11:50:05 AM
by sree.h

Flexible-MOFs forcefield Issue

Started by YangLZ

Replies: 4
Views: 12,273

January 16, 2020, 06:13:10 PM
by David Dubbeldam

Force field issue ?

Started by ibnalsham

Replies: 1
Views: 12,616

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

ForceField Parameter for Carbon

Started by cud

Replies: 2
Views: 9,756

March 06, 2021, 11:01:15 PM
by cud

GCMC results not exactly matching with literature

Started by Vardhan

Replies: 2
Views: 12,537

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

GCMC vs MCNPT

Started by mhaeri

Replies: 1
Views: 9,877

June 13, 2023, 12:45:10 PM
by David Dubbeldam

Grid potentials for mobile cations in MC/GCMC simulations

Started by AHF

Replies: 2
Views: 11,416

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

Grids and Memory Usage

Started by patrickmelix

Replies: 6
Views: 19,228

November 17, 2020, 01:08:28 PM
by patrickmelix

Heat of adsorption calculation problem

Started by SEB

Replies: 0
Views: 9,069

June 10, 2025, 05:18:41 PM
by SEB

helium void fraction

Started by alireza_hadi68

Replies: 1
Views: 13,959

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

Help with GCMC Simulation for Water Adsorption in MOF

Started by had-sham

Replies: 2
Views: 12,576

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

Henrys Constant output

Started by bphan

Replies: 0
Views: 9,770

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

High-Pressure Simulations

Started by SierraEcho

Replies: 2
Views: 10,315

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

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

Started by w_wonder

Replies: 1
Views: 11,500

June 13, 2023, 12:50:29 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: 9,048

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

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

Started by ykz

Replies: 3
Views: 13,547

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

How to eliminate the boundary effect in GEMC simulations?

Started by Jianbo

Replies: 3
Views: 12,195

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

How to make snapshots

Started by imaeda

Replies: 1
Views: 11,112

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

How to run the Gibbs ensemble MC simulation of 3 boxes

Started by imaeda

Replies: 3
Views: 11,267

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

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