General

Phase state in MC simulation of grand canonical ensemble

Started by alexam

Replies: 1
Views: 1,858

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

Henrys Constant output

Started by bphan

Replies: 0
Views: 2,284

June 23, 2022, 07:46:06 PM
by bphan

LAMMPS.trj file to cif

Started by bphan

Replies: 11
Views: 3,282

June 06, 2022, 05:53:49 PM
by bphan

_atom_site_disorder_group in .cif file

Started by gunjanauti

Replies: 1
Views: 1,803

September 25, 2022, 05:36:46 PM
by David Dubbeldam

Here is Practical Explanation about Next Life, Purpose of Human Life,

Started by kama-devah

Replies: 0
Views: 1,146

December 31, 2023, 01:02:14 PM
by kama-devah

Is measuring distance function available in iRASPA on Windows?

Started by Lingxiao Qin

Replies: 1
Views: 1,388

June 13, 2023, 01:47:37 PM
by David Dubbeldam

Can the cavity of a MOF be indicated by a sphere in iRASPA?

Started by Lingxiao Qin

Replies: 2
Views: 1,979

June 27, 2023, 01:40:37 PM
by Lingxiao Qin

RxMC ensemble

Started by Mohammad Ahmadi

Replies: 7
Views: 2,612

June 18, 2023, 08:47:52 AM
by Mohammad Ahmadi

Enthalpy of adsorption

Started by Mohammad Ahmadi

Replies: 0
Views: 1,012

November 21, 2023, 12:01:00 AM
by Mohammad Ahmadi

reinsertion move used on charged ions

Started by Mohammad Ahmadi

Replies: 0
Views: 2,177

June 09, 2022, 03:33:54 PM
by Mohammad Ahmadi

CIF file

Started by Mohammad Ahmadi

Replies: 1
Views: 2,535

April 18, 2022, 07:43:09 PM
by David Dubbeldam

Status of iRASPA-QT

Started by petersbk

Replies: 1
Views: 7,796

September 18, 2019, 09:07:20 PM
by David Dubbeldam

Re:negative MSD slope

Started by sara abbasi

Replies: 3
Views: 2,580

June 04, 2022, 07:06:06 PM
by David Dubbeldam

How to get movie from MD

Started by sara abbasi

Replies: 3
Views: 2,447

June 14, 2022, 09:33:53 PM
by David Dubbeldam

The name of RASPA

Started by sara abbasi

Replies: 0
Views: 662

March 18, 2024, 08:07:55 PM
by sara abbasi

Warning messages during enthalpy of adsorption calculation

Started by sridhar

Replies: 1
Views: 1,227

June 13, 2023, 12:34:28 PM
by David Dubbeldam

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

Started by sridhar

Replies: 0
Views: 1,063

November 24, 2023, 07:51:38 AM
by sridhar

error message on restart after crash

Started by virginia314

Replies: 1
Views: 1,580

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

Why are absolute/excess sorptions calculated consistently?

Started by Z.GAO

Replies: 1
Views: 1,400

June 13, 2023, 12:59:20 PM
by David Dubbeldam

Superimposing pdb files using iRASPA

Started by zhaoli2023

Replies: 1
Views: 8,458

September 19, 2019, 08:00:13 PM
by David Dubbeldam