General

Issue with the forcefield

Started by sridhar

Replies: 3
Views: 50,466

September 21, 2018, 05:44:04 PM
by David Dubbeldam

Error loading VTK output and lack of H on methane

Started by sundberg

Replies: 3
Views: 46,943

June 13, 2023, 01:02:20 PM
by David Dubbeldam

Problem with pressure calculations during adsorption

Started by Temoor

Replies: 2
Views: 43,506

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

Quantitative density profile in a small pore.

Started by Temoor

Replies: 0
Views: 34,350

September 14, 2023, 07:34:10 PM
by Temoor

Inquiry regarding RASPA calculations -Chemical potential and Number of molecules

Started by Temoor

Replies: 0
Views: 34,829

September 28, 2023, 06:26:45 PM
by Temoor

error while calcultaing the henry coefficient of water

Started by uzma

Replies: 0
Views: 14,701

June 05, 2026, 02:53:01 AM
by uzma

'CrashRestart' taking long time

Started by Vardhan

Replies: 5
Views: 55,118

December 04, 2018, 10:18:32 AM
by David Dubbeldam

GCMC results not exactly matching with literature

Started by Vardhan

Replies: 2
Views: 42,271

December 04, 2018, 11:49:26 AM
by Vardhan

error message on restart after crash

Started by virginia314

Replies: 1
Views: 36,631

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

Can anyone recommend some literatures about GCMC simulation？

Started by WuJH

Replies: 0
Views: 33,158

December 21, 2023, 04:03:29 PM
by WuJH

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

Started by w_wonder

Replies: 1
Views: 39,644

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

About the relation between Paritition and LnPartition for NH3

Started by w_wonder

Replies: 7
Views: 74,535

June 13, 2023, 12:52:23 PM
by David Dubbeldam

Atomization energies in partition function for charged systems

Started by w_wonder

Replies: 1
Views: 42,956

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

Mismatch between experimental and modelled data - forcefields?

Started by Xaiver

Replies: 0
Views: 32,368

April 04, 2023, 03:12:19 AM
by Xaiver

Why the excess adsorption is negative, absolute adsorption is zero when doing MC

Started by YadiJiang

Replies: 2
Views: 43,658

December 09, 2021, 08:06:45 AM
by sara abbasi

Flexible-MOFs forcefield Issue

Started by YangLZ

Replies: 4
Views: 45,168

January 16, 2020, 06:13:10 PM
by David Dubbeldam

How to define cations positon from CIF but hold its "cation attribute" in RASPA

Started by ykz

Replies: 3
Views: 49,466

January 16, 2020, 06:15:21 PM
by David Dubbeldam

Difficult to install RASPA3 on Ubuntu 22.04

Started by Yu_Zhuochen

Replies: 0
Views: 35,146

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

About Atoms named xx+number in cif File which cannot be read by RASPA.

Started by Yu_Zhuochen

Replies: 1
Views: 43,585

June 13, 2023, 02:02:28 PM
by David Dubbeldam