General

RxMC ensemble

Started by Mohammad Ahmadi

Replies: 8
Views: 91,748

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

About the relation between Paritition and LnPartition for NH3

Started by w_wonder

Replies: 7
Views: 77,247

June 13, 2023, 12:52:23 PM
by David Dubbeldam

RASPA Simulations Directory not Found

Started by amogh

Replies: 7
Views: 66,326

September 28, 2021, 07:31:24 PM
by amogh

Grids and Memory Usage

Started by patrickmelix

Replies: 6
Views: 63,256

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

Number of molecules in GEMC box

Started by pakamore

Replies: 5
Views: 52,910

November 03, 2021, 08:47:05 AM
by David Dubbeldam

'CrashRestart' taking long time

Started by Vardhan

Replies: 5
Views: 57,382

December 04, 2018, 10:18:32 AM
by David Dubbeldam

Flexible-MOFs forcefield Issue

Started by YangLZ

Replies: 4
Views: 46,544

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

about the Torsion in molecule.def file

Started by raspa666

Replies: 4
Views: 48,119

June 12, 2023, 12:35:05 PM
by raspa666

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

Started by ykz

Replies: 3
Views: 51,424

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

Error loading VTK output and lack of H on methane

Started by sundberg

Replies: 3
Views: 48,140

June 13, 2023, 01:02:20 PM
by David Dubbeldam

Issue with the forcefield

Started by sridhar

Replies: 3
Views: 52,187

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

error run simulate

Started by moondog

Replies: 3
Views: 45,299

September 25, 2020, 11:46:35 AM
by David Dubbeldam

Problems installing on Ubuntu

Started by heitorabreu

Replies: 3
Views: 43,411

July 13, 2021, 03:56:57 AM
by etbandung

How to run the Gibbs ensemble MC simulation of 3 boxes

Started by imaeda

Replies: 3
Views: 44,515

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

Re:negative MSD slope

Started by sara abbasi

Replies: 3
Views: 47,401

June 04, 2022, 07:06:06 PM
by David Dubbeldam

How to eliminate the boundary effect in GEMC simulations?

Started by Jianbo

Replies: 3
Views: 45,481

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

Why the excess adsorption is negative, absolute adsorption is zero when doing MC

Started by YadiJiang

Replies: 2
Views: 45,041

December 09, 2021, 08:06:45 AM
by sara abbasi

High-Pressure Simulations

Started by SierraEcho

Replies: 2
Views: 42,073

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

Grid potentials for mobile cations in MC/GCMC simulations

Started by AHF

Replies: 2
Views: 43,064

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

GCMC results not exactly matching with literature

Started by Vardhan

Replies: 2
Views: 43,849

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