General

How to make snapshots

Started by imaeda

Replies: 1
Views: 2,729

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

Mg and K cations .def file

Started by ergrhn

Replies: 1
Views: 2,706

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

Parallelization of RASPA simulations with Golem

Started by nowakoww

Replies: 1
Views: 6,466

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

RASPA2 Run File

Started by al2

Replies: 1
Views: 2,364

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

GCMC vs MCNPT

Started by mhaeri

Replies: 1
Views: 1,344

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

Run RASPA using MPI

Started by manuelbenavent

Replies: 1
Views: 2,737

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

Atomization energies in partition function for charged systems

Started by w_wonder

Replies: 1
Views: 1,436

June 13, 2023, 02:11:06 PM
by David Dubbeldam

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

Started by w_wonder

Replies: 1
Views: 1,351

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

Defination of absorbates in RASPA

Started by Haolong

Replies: 1
Views: 2,603

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

Inquiry regarding reconvening a run

Started by saif

Replies: 1
Views: 1,371

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

Using RASPA for Nanocarbons

Started by Maxim N. Popov

Replies: 1
Views: 3,621

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

radial distribution function

Started by kokojiang

Replies: 1
Views: 1,429

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

net charge warning

Started by Monica_Gao

Replies: 1
Views: 3,734

July 14, 2020, 12:51:32 PM
by dubbelda

Cation Doping to a Structure and then Calculate Adsorption of Hydrogen

Started by cud

Replies: 1
Views: 2,745

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

NPT Simulations

Started by isaaraujo

Replies: 1
Views: 2,418

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

Enthalpy of adsorption for binary mixture

Started by AHF

Replies: 1
Views: 2,400

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

Running RASPA2 with Python Scripts

Started by Busra

Replies: 1
Views: 2,717

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

MIL-53(Cr) flexible MOF MD problem

Started by merdan

Replies: 1
Views: 2,779

April 24, 2020, 07:26:57 PM
by David Dubbeldam

Warning: Reinsertion used on the charged ions

Started by Monica_Gao

Replies: 1
Views: 2,520

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

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

Started by jimmy

Replies: 2
Views: 2,212

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