General

Irreproducible Partial Charges uing Qeq method

Started by AHF

Replies: 2
Views: 5,312

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

parameter input

Started by sfritzsche

Replies: 1
Views: 4,802

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

Error at run time

Started by chenglong

Replies: 1
Views: 4,662

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: 4,814

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

Raspa on Windows

Started by OliverD

Replies: 1
Views: 4,503

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

Problems on Compiling RASPA2

Started by LHZF

Replies: 0
Views: 4,297

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

ForceField Parameter for Carbon

Started by cud

Replies: 2
Views: 4,738

March 06, 2021, 11:01:15 PM
by cud

The Tail-Correction in RASPA

Started by fjoodaki

Replies: 2
Views: 4,824

March 02, 2021, 12:55:11 AM
by fjoodaki

Warning: Reinsertion used on the charged ions

Started by Monica_Gao

Replies: 1
Views: 5,056

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

Issue with ExtraFrameworkMolecule

Started by Kajum Safiullin

Replies: 2
Views: 4,991

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

How to eliminate the boundary effect in GEMC simulations?

Started by Jianbo

Replies: 3
Views: 5,358

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

Grids and Memory Usage

Started by patrickmelix

Replies: 6
Views: 7,015

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

How to make snapshots

Started by imaeda

Replies: 1
Views: 5,188

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

Defination of absorbates in RASPA

Started by Haolong

Replies: 1
Views: 5,111

September 25, 2020, 11:49:55 AM
by David Dubbeldam

error run simulate

Started by moondog

Replies: 3
Views: 6,713

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

Run RASPA using MPI

Started by manuelbenavent

Replies: 1
Views: 5,345

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

Running RASPA2 with Python Scripts

Started by Busra

Replies: 1
Views: 5,328

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

Surface area of MgMOF-74

Started by imaeda

Replies: 1
Views: 5,118

August 20, 2020, 12:04:39 PM
by dubbelda

net charge warning

Started by Monica_Gao

Replies: 1
Views: 6,276

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

Mg and K cations .def file

Started by ergrhn

Replies: 1
Views: 5,093

May 26, 2020, 05:57:06 PM
by David Dubbeldam