General

How to make snapshots

Started by imaeda

Replies: 1
Views: 11,112

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

Difficult to install RASPA3 on Ubuntu 22.04

Started by Yu_Zhuochen

Replies: 0
Views: 11,098

June 20, 2024, 12:10:33 PM
by Yu_Zhuochen

RASPA 2.0 vs RASPA 2.0.45

Started by rshukre

Replies: 0
Views: 10,994

September 29, 2021, 08:46:07 PM
by rshukre

NPT-Flexible framework

Started by isaaraujo

Replies: 2
Views: 10,980

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

Defination of absorbates in RASPA

Started by Haolong

Replies: 1
Views: 10,874

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

Using RASPA for Nanocarbons

Started by Maxim N. Popov

Replies: 1
Views: 10,731

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

Enthalpy of adsorption for binary mixture

Started by AHF

Replies: 1
Views: 10,729

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

Run RASPA using MPI

Started by manuelbenavent

Replies: 1
Views: 10,714

August 20, 2020, 12:13:30 PM
by dubbelda

Irreproducible Partial Charges uing Qeq method

Started by AHF

Replies: 2
Views: 10,587

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

Warning: Reinsertion used on the charged ions

Started by Monica_Gao

Replies: 1
Views: 10,532

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

Cation Doping to a Structure and then Calculate Adsorption of Hydrogen

Started by cud

Replies: 1
Views: 10,471

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

Issue with ExtraFrameworkMolecule

Started by Kajum Safiullin

Replies: 2
Views: 10,417

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

Matrix Inversion, Gauss-Jordan: Singular Matrix Problem

Started by Auri

Replies: 0
Views: 10,411

June 24, 2025, 11:14:23 AM
by Auri

about the Torsion in molecule.def file

Started by raspa666

Replies: 4
Views: 10,343

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

High-Pressure Simulations

Started by SierraEcho

Replies: 2
Views: 10,315

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

RASPA2 Run File

Started by al2

Replies: 1
Views: 10,291

August 31, 2021, 08:31:21 PM
by David Dubbeldam

Running RASPA2 with Python Scripts

Started by Busra

Replies: 1
Views: 10,291

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

Defining a parametric flexible molecule in .def file

Started by gunjanauti

Replies: 1
Views: 10,228

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

Inquiry regarding reconvening a run

Started by saif

Replies: 1
Views: 10,140

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

iRASPA cannot display the density map

Started by John Walker

Replies: 1
Views: 10,117

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