General

How to change the atom index in the CIF.file to the format that Raspa can read ?

Started by kokojiang

Replies: 0
Views: 35,038

October 24, 2023, 06:56:23 AM
by kokojiang

Inquiry regarding RASPA calculations -Chemical potential and Number of molecules

Started by Temoor

Replies: 0
Views: 35,707

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

Quantitative density profile in a small pore.

Started by Temoor

Replies: 0
Views: 35,208

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

Density Histogram from GCMC simulation for four-component gasmixture adsorption

Started by Cigdem

Replies: 0
Views: 34,724

August 16, 2023, 08:32:36 AM
by Cigdem

Inquiry regarding reconvening a run

Started by saif

Replies: 1
Views: 40,146

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

Atomization energies in partition function for charged systems

Started by w_wonder

Replies: 1
Views: 44,126

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

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

Started by Yu_Zhuochen

Replies: 1
Views: 44,772

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

radial distribution function

Started by kokojiang

Replies: 1
Views: 40,197

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

Error loading VTK output and lack of H on methane

Started by sundberg

Replies: 3
Views: 48,297

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

About the relation between Paritition and LnPartition for NH3

Started by w_wonder

Replies: 7
Views: 77,497

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

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

Started by w_wonder

Replies: 1
Views: 40,653

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

Problem with pressure calculations during adsorption

Started by Temoor

Replies: 2
Views: 44,623

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

GCMC vs MCNPT

Started by mhaeri

Replies: 1
Views: 39,261

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

Very beginner question

Started by extremesonic01

Replies: 2
Views: 46,681

June 13, 2023, 12:40:19 PM
by David Dubbeldam

RxMC ensemble

Started by Mohammad Ahmadi

Replies: 0
Views: 35,051

June 13, 2023, 08:15:32 AM
by Mohammad Ahmadi

about the Torsion in molecule.def file

Started by raspa666

Replies: 4
Views: 48,280

June 12, 2023, 12:35:05 PM
by raspa666

Mismatch between experimental and modelled data - forcefields?

Started by Xaiver

Replies: 0
Views: 33,190

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

error message on restart after crash

Started by virginia314

Replies: 1
Views: 37,538

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

Phase state in MC simulation of grand canonical ensemble

Started by alexam

Replies: 1
Views: 38,475

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

Henrys Constant output

Started by bphan

Replies: 0
Views: 35,581

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