General

Why Is Trust Important When Meeting Someone New?

Started by emilywatcher

Replies: 0
Views: 139

August 25, 2026, 05:41:33 PM
by emilywatcher

reinsertion move used on charged ions

Started by Mohammad Ahmadi

Replies: 0
Views: 37,750

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

Sudoku: A Simple Puzzle That Builds Powerful Thinking Skills

Started by JefferikuDavis

Replies: 0
Views: 118

August 27, 2026, 11:27:20 AM
by JefferikuDavis

_atom_site_disorder_group in .cif file

Started by gunjanauti

Replies: 1
Views: 40,500

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

What is the source of GenericMOF FF?

Started by Sipra Mohapatra

Replies: 1
Views: 42,563

April 28, 2025, 08:48:48 PM
by David Dubbeldam

CIF file

Started by Mohammad Ahmadi

Replies: 1
Views: 40,569

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

Why are absolute/excess sorptions calculated consistently?

Started by Z.GAO

Replies: 1
Views: 41,693

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

Status of iRASPA-QT

Started by petersbk

Replies: 1
Views: 43,987

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

The preprocessor macro `STDC_HEADERS' is obsolete.

Started by cicci

Replies: 1
Views: 38,253

April 08, 2026, 10:28:10 AM
by Deighton

Superimposing pdb files using iRASPA

Started by zhaoli2023

Replies: 1
Views: 45,716

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

Warning messages during enthalpy of adsorption calculation

Started by sridhar

Replies: 1
Views: 40,527

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

Is measuring distance function available in iRASPA on Windows?

Started by Lingxiao Qin

Replies: 1
Views: 42,236

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

Heat of adsorption calculation problem

Started by SEB

Replies: 1
Views: 38,912

January 11, 2026, 07:32:28 AM
by Ochsman0339

iRASPA Potential Energy Surface

Started by Cecilia

Replies: 2
Views: 44,933

March 18, 2026, 09:51:13 AM
by Deighton

MOF structure atoms not shown in Movies

Started by had-sham

Replies: 2
Views: 42,371

January 23, 2026, 09:22:00 AM
by Rossetti

How to make adsorption density maps using RASPA and iRASPA?

Started by Zihan Zhou

Replies: 2
Views: 47,966

September 30, 2024, 10:55:24 AM
by dubbelda

Movies.pdb file issue

Started by manjusharma

Replies: 2
Views: 39,278

August 19, 2026, 02:37:38 PM
by muskan01

How to get movie from MD

Started by sara abbasi

Replies: 3
Views: 48,779

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

Limit on the number of atoms

Started by cvm14

Replies: 3
Views: 48,732

July 29, 2026, 08:19:37 AM
by ramika

Generating Adsorbate Density Profiles from GCMC Restart Files in RASPA

Started by had-sham

Replies: 3
Views: 42,845

August 18, 2026, 09:03:55 AM
by muskan01