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

Started by YadiJiang

Replies: 2
Views: 44,566

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

list of configurational moves in .def file

Started by ae213

Replies: 2
Views: 44,581

June 23, 2022, 06:17:44 PM
by ae213

error run simulate

Started by moondog

Replies: 3
Views: 44,940

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

How to eliminate the boundary effect in GEMC simulations?

Started by Jianbo

Replies: 3
Views: 45,014

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

Flexible-MOFs forcefield Issue

Started by YangLZ

Replies: 4
Views: 46,056

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

Very beginner question

Started by extremesonic01

Replies: 2
Views: 46,092

June 13, 2023, 12:40:19 PM
by David Dubbeldam

Molfraction problem in adsorption simulation of multicomponent mixtures

Started by Sirius Black

Replies: 1
Views: 46,678

August 08, 2025, 07:37:49 AM
by KN

Re:negative MSD slope

Started by sara abbasi

Replies: 3
Views: 47,059

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

Help with GCMC Simulation for Water Adsorption in MOF

Started by had-sham

Replies: 2
Views: 47,304

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

about the Torsion in molecule.def file

Started by raspa666

Replies: 4
Views: 47,718

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

Error loading VTK output and lack of H on methane

Started by sundberg

Replies: 3
Views: 47,799

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

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

Started by ykz

Replies: 3
Views: 50,768

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

Issue with the forcefield

Started by sridhar

Replies: 3
Views: 51,702

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

Number of molecules in GEMC box

Started by pakamore

Replies: 5
Views: 52,389

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

'CrashRestart' taking long time

Started by Vardhan

Replies: 5
Views: 56,641

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

Grids and Memory Usage

Started by patrickmelix

Replies: 6
Views: 62,465

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

RASPA Simulations Directory not Found

Started by amogh

Replies: 7
Views: 65,700

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

About the relation between Paritition and LnPartition for NH3

Started by w_wonder

Replies: 7
Views: 76,463

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

RxMC ensemble

Started by Mohammad Ahmadi

Replies: 8
Views: 90,868

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