General

about the Torsion in molecule.def file

Started by raspa666

Replies: 4
Views: 10,923

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

Warning: Reinsertion used on the charged ions

Started by Monica_Gao

Replies: 1
Views: 10,977

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

Matrix Inversion, Gauss-Jordan: Singular Matrix Problem

Started by Auri

Replies: 0
Views: 10,992

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

Irreproducible Partial Charges uing Qeq method

Started by AHF

Replies: 2
Views: 11,020

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

Run RASPA using MPI

Started by manuelbenavent

Replies: 1
Views: 11,145

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

Using RASPA for Nanocarbons

Started by Maxim N. Popov

Replies: 1
Views: 11,185

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

Enthalpy of adsorption for binary mixture

Started by AHF

Replies: 1
Views: 11,243

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

Defination of absorbates in RASPA

Started by Haolong

Replies: 1
Views: 11,349

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

RASPA 2.0 vs RASPA 2.0.45

Started by rshukre

Replies: 0
Views: 11,477

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

NPT-Flexible framework

Started by isaaraujo

Replies: 2
Views: 11,493

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

Difficult to install RASPA3 on Ubuntu 22.04

Started by Yu_Zhuochen

Replies: 0
Views: 11,537

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

How to make snapshots

Started by imaeda

Replies: 1
Views: 11,569

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

How to run the Gibbs ensemble MC simulation of 3 boxes

Started by imaeda

Replies: 3
Views: 11,749

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

Surface area of MgMOF-74

Started by imaeda

Replies: 1
Views: 11,860

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

Grid potentials for mobile cations in MC/GCMC simulations

Started by AHF

Replies: 2
Views: 11,888

October 05, 2021, 07:08:43 PM
by AHF

Problem with pressure calculations during adsorption

Started by Temoor

Replies: 2
Views: 11,923

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

radial distribution function

Started by kokojiang

Replies: 1
Views: 11,951

June 13, 2023, 01:58:25 PM
by David Dubbeldam

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

Started by w_wonder

Replies: 1
Views: 12,000

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

MM3

Started by Sara

Replies: 1
Views: 12,265

September 30, 2024, 10:49:15 AM
by dubbelda

list of configurational moves in .def file

Started by ae213

Replies: 2
Views: 12,652

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