General

How to make snapshots

Started by imaeda

Replies: 1
Views: 4,588

October 20, 2020, 06:54:17 PM
by David Dubbeldam

Irreproducible Partial Charges uing Qeq method

Started by AHF

Replies: 2
Views: 4,673

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

Running RASPA2 with Python Scripts

Started by Busra

Replies: 1
Views: 4,712

August 20, 2020, 12:09:36 PM
by David Dubbeldam

Run RASPA using MPI

Started by manuelbenavent

Replies: 1
Views: 4,721

August 20, 2020, 12:13:30 PM
by dubbelda

How to eliminate the boundary effect in GEMC simulations?

Started by Jianbo

Replies: 3
Views: 4,747

December 23, 2020, 09:20:53 PM
by David Dubbeldam

Problems installing on Ubuntu

Started by heitorabreu

Replies: 3
Views: 4,803

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

list of configurational moves in .def file

Started by ae213

Replies: 2
Views: 4,820

June 23, 2022, 06:17:44 PM
by ae213

Very beginner question

Started by extremesonic01

Replies: 2
Views: 4,906

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

Re:negative MSD slope

Started by sara abbasi

Replies: 3
Views: 5,054

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

Using RASPA for Nanocarbons

Started by Maxim N. Popov

Replies: 1
Views: 5,467

July 06, 2019, 04:36:59 PM
by David Dubbeldam

net charge warning

Started by Monica_Gao

Replies: 1
Views: 5,670

July 14, 2020, 12:51:32 PM
by dubbelda

Number of molecules in GEMC box

Started by pakamore

Replies: 5
Views: 5,891

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

Error loading VTK output and lack of H on methane

Started by sundberg

Replies: 3
Views: 5,972

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

Flexible-MOFs forcefield Issue

Started by YangLZ

Replies: 4
Views: 6,013

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

error run simulate

Started by moondog

Replies: 3
Views: 6,068

September 25, 2020, 11:46:35 AM
by David Dubbeldam

GCMC results not exactly matching with literature

Started by Vardhan

Replies: 2
Views: 6,116

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

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

Started by YadiJiang

Replies: 2
Views: 6,224

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

Grids and Memory Usage

Started by patrickmelix

Replies: 6
Views: 6,322

November 17, 2020, 01:08:28 PM
by patrickmelix

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

Started by ykz

Replies: 3
Views: 6,444

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

About the relation between Paritition and LnPartition for NH3

Started by w_wonder

Replies: 7
Views: 7,123

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