Input files and parameters

Run RASPA simulation with Rigid MOF structure

Started by AntonioDouglas

Replies: 1
Views: 13,555

September 07, 2024, 08:51:18 AM
by Lingxiao Qin

ExternalTemperature does not work like ExternalPressure

Started by neumannrf

Replies: 5
Views: 14,080

March 14, 2022, 07:05:28 PM
by David Dubbeldam

The flexibility of IRMOF-1

Started by zjuhjx

Replies: 3
Views: 14,387

May 14, 2018, 08:18:21 AM
by zjuhjx

ChargeFromChargeEquilibration

Started by anne

Replies: 4
Views: 14,647

January 28, 2019, 07:57:40 PM
by David Dubbeldam

using grids for energy biased monte carlo

Started by wei123

Replies: 2
Views: 14,775

June 22, 2023, 09:05:35 AM
by wei123

CIF files help

Started by petersbk

Replies: 3
Views: 15,532

July 06, 2019, 04:24:19 PM
by David Dubbeldam

"FlexibleDefinition" option is mandatory?

Started by Junran Lu

Replies: 4
Views: 16,296

March 22, 2018, 02:47:47 AM
by Junran Lu

No VDW interaction

Started by CharleneZ

Replies: 2
Views: 18,475

April 25, 2025, 03:30:36 PM
by justyna

1_2_ethanediol TraPPE modell

Started by Christopher

Replies: 6
Views: 18,642

November 04, 2020, 11:02:53 AM
by Christopher

pseudo_atom radii

Started by rshukre

Replies: 3
Views: 19,572

June 13, 2023, 02:09:19 PM
by David Dubbeldam

Error in connectivity

Started by shabnam naderlou

Replies: 7
Views: 20,800

September 29, 2018, 06:50:46 AM
by David Dubbeldam

Only one Framework atom taken from .cif file

Started by petersbk

Replies: 7
Views: 23,808

April 23, 2019, 02:02:41 PM
by petersbk

The usage of block_file

Started by Junran Lu

Pages1 2

Replies: 15
Views: 37,058

September 28, 2021, 06:52:03 PM
by rshukre