General

RASPA 2.0 vs RASPA 2.0.45

Started by rshukre

Replies: 0
Views: 2,169

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

about the Torsion in molecule.def file

Started by raspa666

Replies: 4
Views: 1,240

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

Grids and Memory Usage

Started by patrickmelix

Replies: 6
Views: 3,731

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

Number of molecules in GEMC box

Started by pakamore

Replies: 5
Views: 3,472

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

Raspa on Windows

Started by OliverD

Replies: 1
Views: 2,042

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

Parallelization of RASPA simulations with Golem

Started by nowakoww

Replies: 1
Views: 6,297

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

error run simulate

Started by moondog

Replies: 3
Views: 3,758

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

Warning: Reinsertion used on the charged ions

Started by Monica_Gao

Replies: 1
Views: 2,464

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

net charge warning

Started by Monica_Gao

Replies: 1
Views: 3,692

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

RxMC ensemble

Started by Mohammad Ahmadi

Replies: 0
Views: 1,063

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

GCMC vs MCNPT

Started by mhaeri

Replies: 1
Views: 1,263

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

MIL-53(Cr) flexible MOF MD problem

Started by merdan

Replies: 1
Views: 2,734

April 24, 2020, 07:26:57 PM
by David Dubbeldam

Using RASPA for Nanocarbons

Started by Maxim N. Popov

Replies: 1
Views: 3,570

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

Run RASPA using MPI

Started by manuelbenavent

Replies: 1
Views: 2,688

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

Problems on Compiling RASPA2

Started by LHZF

Replies: 0
Views: 1,914

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

radial distribution function

Started by kokojiang

Replies: 1
Views: 1,353

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

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

Started by kokojiang

Replies: 0
Views: 1,054

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

Issue with ExtraFrameworkMolecule

Started by Kajum Safiullin

Replies: 2
Views: 2,321

December 25, 2020, 11:41:41 AM
by Kajum Safiullin

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

Started by jimmy

Replies: 2
Views: 2,169

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

Use RestartInitial’ to re-compute VTK file

Started by jimmy

Replies: 1
Views: 2,064

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