General

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

Started by w_wonder

Replies: 1
Views: 4,301

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

radial distribution function

Started by kokojiang

Replies: 1
Views: 4,291

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

RASPA2 Run File

Started by al2

Replies: 1
Views: 4,225

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

NPT Simulations

Started by isaaraujo

Replies: 1
Views: 4,222

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

The Tail-Correction in RASPA

Started by fjoodaki

Replies: 2
Views: 4,220

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

The difference between PMF/PT-MC and setting each MF/Temperature GCMC job

Started by jimmy

Replies: 2
Views: 4,208

May 05, 2021, 02:11:54 PM
by David Dubbeldam

parameter input

Started by sfritzsche

Replies: 1
Views: 4,180

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

Phase state in MC simulation of grand canonical ensemble

Started by alexam

Replies: 1
Views: 4,165

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

ForceField Parameter for Carbon

Started by cud

Replies: 2
Views: 4,144

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

RASPA 2.0 vs RASPA 2.0.45

Started by rshukre

Replies: 0
Views: 4,092

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

Error at run time

Started by chenglong

Replies: 1
Views: 4,055

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

Energy Drift - Cations

Started by isaaraujo

Replies: 0
Views: 3,987

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

GCMC vs MCNPT

Started by mhaeri

Replies: 1
Views: 3,971

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

Use RestartInitial’ to re-compute VTK file

Started by jimmy

Replies: 1
Views: 3,960

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

Defining a parametric flexible molecule in .def file

Started by gunjanauti

Replies: 1
Views: 3,959

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

Inquiry regarding reconvening a run

Started by saif

Replies: 1
Views: 3,955

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

Raspa on Windows

Started by OliverD

Replies: 1
Views: 3,921

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

PSD of Zeolitic systems with mobile cations

Started by AHF

Replies: 0
Views: 3,901

November 26, 2021, 07:06:10 PM
by AHF

error message on restart after crash

Started by virginia314

Replies: 1
Views: 3,898

January 11, 2023, 08:08:05 PM
by David Dubbeldam

Inaccurate Adsorption Isotherms obtained for H2 Adsorption on IRMOF-1 at 77K

Started by sridhar

Replies: 1
Views: 3,870

September 30, 2024, 10:58:16 AM
by dubbelda