General

Energy Drift - Cations

Started by isaaraujo

Replies: 0
Views: 35,820

January 08, 2022, 09:52:04 AM
by isaaraujo

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

Started by YadiJiang

Replies: 2
Views: 44,983

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

NPT Simulations

Started by isaaraujo

Replies: 1
Views: 37,503

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

NPT-Flexible framework

Started by isaaraujo

Replies: 2
Views: 44,711

December 01, 2021, 04:29:31 PM
by isaaraujo

PSD of Zeolitic systems with mobile cations

Started by AHF

Replies: 0
Views: 35,736

November 26, 2021, 07:06:10 PM
by AHF

Number of molecules in GEMC box

Started by pakamore

Replies: 5
Views: 52,818

November 03, 2021, 08:47:05 AM
by David Dubbeldam

How to run the Gibbs ensemble MC simulation of 3 boxes

Started by imaeda

Replies: 3
Views: 44,466

November 03, 2021, 08:43:14 AM
by David Dubbeldam

Use RestartInitial’ to re-compute VTK file

Started by jimmy

Replies: 1
Views: 37,441

November 03, 2021, 08:39:00 AM
by David Dubbeldam

Grid potentials for mobile cations in MC/GCMC simulations

Started by AHF

Replies: 2
Views: 43,005

October 05, 2021, 07:08:43 PM
by AHF

RASPA 2.0 vs RASPA 2.0.45

Started by rshukre

Replies: 0
Views: 37,881

September 29, 2021, 08:46:07 PM
by rshukre

RASPA Simulations Directory not Found

Started by amogh

Replies: 7
Views: 66,226

September 28, 2021, 07:31:24 PM
by amogh

RASPA2 Run File

Started by al2

Replies: 1
Views: 37,232

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

High-Pressure Simulations

Started by SierraEcho

Replies: 2
Views: 42,007

July 29, 2021, 02:40:33 PM
by SierraEcho

Problems installing on Ubuntu

Started by heitorabreu

Replies: 3
Views: 43,346

July 13, 2021, 03:56:57 AM
by etbandung

Irreproducible Partial Charges uing Qeq method

Started by AHF

Replies: 2
Views: 42,281

June 22, 2021, 06:24:08 PM
by AHF

parameter input

Started by sfritzsche

Replies: 1
Views: 36,355

June 08, 2021, 02:36:34 PM
by David Dubbeldam

Error at run time

Started by chenglong

Replies: 1
Views: 36,245

May 21, 2021, 06:47:00 PM
by David Dubbeldam

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

Started by jimmy

Replies: 2
Views: 40,709

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

Raspa on Windows

Started by OliverD

Replies: 1
Views: 35,181

May 05, 2021, 01:46:40 PM
by David Dubbeldam

Problems on Compiling RASPA2

Started by LHZF

Replies: 0
Views: 33,841

May 01, 2021, 10:10:58 PM
by LHZF