General

Run RASPA using MPI

Started by manuelbenavent

Replies: 1
Views: 4,550

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

Using RASPA for Nanocarbons

Started by Maxim N. Popov

Replies: 1
Views: 5,294

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

GCMC vs MCNPT

Started by mhaeri

Replies: 1
Views: 3,811

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

Monte carlo on biomolecules

Started by mms

Replies: 1
Views: 1,206

January 29, 2025, 07:23:07 PM
by David Dubbeldam

Macromolecules

Started by mms

Replies: 1
Views: 1,158

January 29, 2025, 07:21:21 PM
by David Dubbeldam

RxMC ensemble

Started by Mohammad Ahmadi

Replies: 8
Views: 7,706

September 30, 2024, 01:52:27 PM
by dubbelda

RxMC ensemble

Started by Mohammad Ahmadi

Replies: 0
Views: 2,924

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

Enthalpy of adsorption

Started by Mohammad Ahmadi

Replies: 1
Views: 3,574

September 30, 2024, 01:07:58 PM
by dubbelda

net charge warning

Started by Monica_Gao

Replies: 1
Views: 5,502

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

Warning: Reinsertion used on the charged ions

Started by Monica_Gao

Replies: 1
Views: 4,266

January 07, 2021, 08:02:11 PM
by David Dubbeldam

error run simulate

Started by moondog

Replies: 3
Views: 5,881

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

Parallelization of RASPA simulations with Golem

Started by nowakoww

Replies: 1
Views: 8,497

January 25, 2019, 03:59:37 PM
by nowakoww

Raspa on Windows

Started by OliverD

Replies: 1
Views: 3,753

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

Number of molecules in GEMC box

Started by pakamore

Replies: 5
Views: 5,708

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

Grids and Memory Usage

Started by patrickmelix

Replies: 6
Views: 6,123

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

about the Torsion in molecule.def file

Started by raspa666

Replies: 4
Views: 3,586

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

RASPA 2.0 vs RASPA 2.0.45

Started by rshukre

Replies: 0
Views: 3,932

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

Inquiry regarding reconvening a run

Started by saif

Replies: 1
Views: 3,802

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

MM3

Started by Sara

Replies: 1
Views: 2,289

September 30, 2024, 10:49:15 AM
by dubbelda

Single point calculation for a defined positions

Started by Sara

Replies: 1
Views: 2,375

September 30, 2024, 10:52:36 AM
by dubbelda