General

about the Torsion in molecule.def file

Started by raspa666

Replies: 4
Views: 6,434

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

GCMC vs MCNPT

Started by mhaeri

Replies: 1
Views: 6,440

June 13, 2023, 12:45:10 PM
by David Dubbeldam

Defining a parametric flexible molecule in .def file

Started by gunjanauti

Replies: 1
Views: 6,442

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

The Tail-Correction in RASPA

Started by fjoodaki

Replies: 2
Views: 6,453

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

Phase state in MC simulation of grand canonical ensemble

Started by alexam

Replies: 1
Views: 6,491

September 25, 2022, 05:58:14 PM
by David Dubbeldam

Inquiry regarding reconvening a run

Started by saif

Replies: 1
Views: 6,570

June 24, 2023, 08:46:18 AM
by kokojiang

Mg and K cations .def file

Started by ergrhn

Replies: 1
Views: 6,598

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

Cation Doping to a Structure and then Calculate Adsorption of Hydrogen

Started by cud

Replies: 1
Views: 6,733

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

Enthalpy of adsorption for binary mixture

Started by AHF

Replies: 1
Views: 6,830

March 14, 2022, 07:13:39 PM
by David Dubbeldam

Issue with ExtraFrameworkMolecule

Started by Kajum Safiullin

Replies: 2
Views: 6,891

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

High-Pressure Simulations

Started by SierraEcho

Replies: 2
Views: 6,923

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

Warning: Reinsertion used on the charged ions

Started by Monica_Gao

Replies: 1
Views: 6,935

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

Running RASPA2 with Python Scripts

Started by Busra

Replies: 1
Views: 6,982

August 20, 2020, 12:09:36 PM
by David Dubbeldam

How to make snapshots

Started by imaeda

Replies: 1
Views: 6,994

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

Defination of absorbates in RASPA

Started by Haolong

Replies: 1
Views: 7,008

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

NPT-Flexible framework

Started by isaaraujo

Replies: 2
Views: 7,028

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

helium void fraction

Started by alireza_hadi68

Replies: 1
Views: 7,046

September 07, 2024, 05:50:58 AM
by Lingxiao Qin

How the partition function for propene in the RASPA manual was obtained?

Started by w_wonder

Replies: 1
Views: 7,047

June 13, 2023, 12:50:29 PM
by David Dubbeldam

Irreproducible Partial Charges uing Qeq method

Started by AHF

Replies: 2
Views: 7,073

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

Problems installing on Ubuntu

Started by heitorabreu

Replies: 3
Views: 7,087

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