General

Cation Doping to a Structure and then Calculate Adsorption of Hydrogen

Started by cud

Replies: 1
Views: 32,862

March 01, 2020, 09:42:36 AM
by David Dubbeldam

ForceField Parameter for Carbon

Started by cud

Replies: 2
Views: 34,954

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

Mg and K cations .def file

Started by ergrhn

Replies: 1
Views: 32,122

May 26, 2020, 05:57:06 PM
by David Dubbeldam

Very beginner question

Started by extremesonic01

Replies: 2
Views: 40,003

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

The Tail-Correction in RASPA

Started by fjoodaki

Replies: 2
Views: 33,530

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

Defining a parametric flexible molecule in .def file

Started by gunjanauti

Replies: 1
Views: 34,739

May 25, 2024, 12:03:29 PM
by iwanchemist

Segmentation Fault When Creating Grids

Started by had-sham

Replies: 1
Views: 35,382

June 05, 2025, 12:15:49 PM
by had-sham

Help with GCMC Simulation for Water Adsorption in MOF

Started by had-sham

Replies: 2
Views: 41,501

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

Defination of absorbates in RASPA

Started by Haolong

Replies: 1
Views: 34,129

September 25, 2020, 11:49:55 AM
by David Dubbeldam

Problems installing on Ubuntu

Started by heitorabreu

Replies: 3
Views: 36,039

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

Koło Fortuny Online dane techniczne

Started by Herbertoblip

Replies: 0
Views: 22,908

February 26, 2026, 06:19:59 PM
by Herbertoblip

Functional Centre Categorised as Sensible Exchange Prospect for Cavaliers

Started by HoopDynasty

Replies: 0
Views: 23,986

April 02, 2026, 05:45:10 AM
by HoopDynasty

Force field issue ?

Started by ibnalsham

Replies: 1
Views: 37,963

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

Surface area of MgMOF-74

Started by imaeda

Replies: 1
Views: 36,934

August 20, 2020, 12:04:39 PM
by dubbelda

How to run the Gibbs ensemble MC simulation of 3 boxes

Started by imaeda

Replies: 3
Views: 37,759

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

How to make snapshots

Started by imaeda

Replies: 1
Views: 33,689

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

NPT Simulations

Started by isaaraujo

Replies: 1
Views: 32,654

December 02, 2021, 10:48:39 AM
by David Dubbeldam

NPT-Flexible framework

Started by isaaraujo

Replies: 2
Views: 38,170

December 01, 2021, 04:29:31 PM
by isaaraujo

Energy Drift - Cations

Started by isaaraujo

Replies: 0
Views: 31,496

January 08, 2022, 09:52:04 AM
by isaaraujo

No general mixing rule but I set is L-B

Started by Jacker

Replies: 1
Views: 38,949

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