General

ForceField Parameter for Carbon

Started by cud

Replies: 2
Views: 4,144

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

Help with GCMC Simulation for Water Adsorption in MOF

Started by had-sham

Replies: 2
Views: 99

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

list of configurational moves in .def file

Started by ae213

Replies: 2
Views: 4,820

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

High-Pressure Simulations

Started by SierraEcho

Replies: 2
Views: 4,478

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

The Tail-Correction in RASPA

Started by fjoodaki

Replies: 2
Views: 4,220

March 02, 2021, 12:55:11 AM
by fjoodaki

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

Started by YadiJiang

Replies: 2
Views: 6,224

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

GCMC results not exactly matching with literature

Started by Vardhan

Replies: 2
Views: 6,116

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

Issue with ExtraFrameworkMolecule

Started by Kajum Safiullin

Replies: 2
Views: 4,383

December 25, 2020, 11:41:41 AM
by Kajum Safiullin

Irreproducible Partial Charges uing Qeq method

Started by AHF

Replies: 2
Views: 4,673

June 22, 2021, 06:24:08 PM
by AHF

How to run the Gibbs ensemble MC simulation of 3 boxes

Started by imaeda

Replies: 3
Views: 4,526

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

Re:negative MSD slope

Started by sara abbasi

Replies: 3
Views: 5,054

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

Problems installing on Ubuntu

Started by heitorabreu

Replies: 3
Views: 4,803

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

How to eliminate the boundary effect in GEMC simulations?

Started by Jianbo

Replies: 3
Views: 4,747

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

error run simulate

Started by moondog

Replies: 3
Views: 6,068

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

Issue with the forcefield

Started by sridhar

Replies: 3
Views: 8,175

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

Error loading VTK output and lack of H on methane

Started by sundberg

Replies: 3
Views: 5,972

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: 6,444

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

about the Torsion in molecule.def file

Started by raspa666

Replies: 4
Views: 3,761

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

Flexible-MOFs forcefield Issue

Started by YangLZ

Replies: 4
Views: 6,013

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

Number of molecules in GEMC box

Started by pakamore

Replies: 5
Views: 5,891

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