General

Force field issue ?

Started by ibnalsham

Replies: 1
Views: 831

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

parameter input

Started by sfritzsche

Replies: 1
Views: 4,011

June 08, 2021, 02:36:34 PM
by David Dubbeldam

Parallelization of RASPA simulations with Golem

Started by nowakoww

Replies: 1
Views: 8,497

January 25, 2019, 03:59:37 PM
by nowakoww

Enthalpy of adsorption

Started by Mohammad Ahmadi

Replies: 1
Views: 3,574

September 30, 2024, 01:07:58 PM
by dubbelda

Raspa on Windows

Started by OliverD

Replies: 1
Views: 3,753

May 05, 2021, 01:46:40 PM
by David Dubbeldam

Defination of absorbates in RASPA

Started by Haolong

Replies: 1
Views: 4,331

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

Use RestartInitial’ to re-compute VTK file

Started by jimmy

Replies: 1
Views: 3,795

November 03, 2021, 08:39:00 AM
by David Dubbeldam

iRASPA cannot display the density map

Started by John Walker

Replies: 1
Views: 2,708

June 10, 2024, 10:23:58 AM
by Lingxiao Qin

No general mixing rule but I set is L-B

Started by Jacker

Replies: 1
Views: 571

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

Error at run time

Started by chenglong

Replies: 1
Views: 3,899

May 21, 2021, 06:47:00 PM
by David Dubbeldam

Using RASPA for Nanocarbons

Started by Maxim N. Popov

Replies: 1
Views: 5,294

July 06, 2019, 04:36:59 PM
by David Dubbeldam

Warning: Reinsertion used on the charged ions

Started by Monica_Gao

Replies: 1
Views: 4,266

January 07, 2021, 08:02:11 PM
by David Dubbeldam

Defining a parametric flexible molecule in .def file

Started by gunjanauti

Replies: 1
Views: 3,772

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

How to make snapshots

Started by imaeda

Replies: 1
Views: 4,431

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

GCMC results not exactly matching with literature

Started by Vardhan

Replies: 2
Views: 5,948

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

list of configurational moves in .def file

Started by ae213

Replies: 2
Views: 4,667

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

Irreproducible Partial Charges uing Qeq method

Started by AHF

Replies: 2
Views: 4,505

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

Very beginner question

Started by extremesonic01

Replies: 2
Views: 4,614

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

Problem with pressure calculations during adsorption

Started by Temoor

Replies: 2
Views: 4,339

June 13, 2023, 12:47:02 PM
by David Dubbeldam

ForceField Parameter for Carbon

Started by cud

Replies: 2
Views: 3,988

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