Input files and parameters

Run RASPA simulation with Rigid MOF structure

Started by AntonioDouglas

Replies: 1
Views: 193

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

Bulk Density Validation by MC

Started by Bourne

Replies: 0
Views: 321

August 07, 2024, 04:04:41 AM
by Bourne

Ideal Gas Rosenbluth Weight Greater Than One

Started by ngantzler

Replies: 0
Views: 660

May 28, 2024, 08:15:16 PM
by ngantzler

No VDW interaction

Started by CharleneZ

Replies: 0
Views: 1,623

August 29, 2023, 09:53:57 PM
by CharleneZ

RDF for adsorption

Started by mhaeri

Replies: 0
Views: 1,648

July 22, 2023, 06:31:25 PM
by mhaeri

Problem with pressure calculations during adsorption

Started by Temoor

Replies: 0
Views: 1,664

April 19, 2023, 10:11:17 PM
by Temoor

Generating framework.def and labeling cif by atom type

Started by shu815

Replies: 1
Views: 1,830

June 13, 2023, 12:41:55 PM
by David Dubbeldam

How to use Feymann-Hibbs correction to Lennard-Jones?

Started by Cheng

Replies: 0
Views: 1,922

January 20, 2022, 10:35:48 AM
by Cheng

Using RestartInitial

Started by vgd_127

Replies: 0
Views: 2,010

December 28, 2021, 01:00:06 PM
by vgd_127

mol file

Started by Nourissa

Replies: 1
Views: 2,058

November 22, 2022, 10:12:01 AM
by David Dubbeldam

Could NOT open file: RestartInitial/System_0/restart*

Started by Nourissa

Replies: 1
Views: 2,062

November 08, 2022, 05:01:34 AM
by Z.GAO

Some problems on the representation of Feynman Hibbs quartic effective potential

Started by Cindy

Replies: 0
Views: 2,085

April 12, 2022, 03:25:12 AM
by Cindy

using grids for energy biased monte carlo

Started by wei123

Replies: 2
Views: 2,113

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

The input file for the system with large numbers of atoms

Started by xiaoboy

Replies: 0
Views: 2,139

December 30, 2021, 10:15:30 AM
by xiaoboy

amorphous polymer can be used as adsorbent

Started by h1h2x3

Replies: 1
Views: 2,151

March 14, 2022, 06:58:12 PM
by David Dubbeldam

Making OPLS benzene molecules

Started by don

Replies: 0
Views: 2,162

December 02, 2021, 05:20:06 PM
by don

desorption-error

Started by Nourissa

Replies: 1
Views: 2,164

September 25, 2022, 05:55:10 PM
by David Dubbeldam

desorption-example

Started by Nourissa

Replies: 1
Views: 2,185

September 25, 2022, 05:51:53 PM
by David Dubbeldam

Problem in adsorption

Started by bluebox3486

Replies: 1
Views: 2,204

September 25, 2022, 05:42:33 PM
by David Dubbeldam

start a new simulation based on the final configuration from a previious one

Started by mhaeri

Replies: 0
Views: 2,218

January 06, 2021, 11:24:22 AM
by mhaeri