Input files and parameters

Identity Exchange moves in RASPA 3

Started by ssharlin

Replies: 0
Views: 20,323

January 20, 2026, 07:50:29 PM
by ssharlin

I need help running MC simulation for atmospheric water adsorption

Started by Ismail

Replies: 0
Views: 20,945

March 04, 2025, 03:18:04 PM
by Ismail

Gibbs Ensemble Monte Carlo (GEMC) Input file to simulate adsorption in MOFs

Started by hooman

Replies: 0
Views: 21,051

April 11, 2025, 06:17:51 PM
by hooman

The input file for the system with large numbers of atoms

Started by xiaoboy

Replies: 0
Views: 21,213

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

Some problems on the representation of Feynman Hibbs quartic effective potential

Started by Cindy

Replies: 0
Views: 21,250

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

Ethylene with TraPPe UA2 problem

Started by CheMiNuB

Replies: 0
Views: 21,311

March 08, 2025, 10:38:21 PM
by CheMiNuB

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

Started by Cheng

Replies: 0
Views: 21,618

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

Use of dreiding force field

Started by debelan1

Replies: 1
Views: 21,674

June 08, 2021, 02:26:43 PM
by David Dubbeldam

Using RestartInitial

Started by vgd_127

Replies: 0
Views: 21,685

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

CB/CFC Monte Carlo Input File

Started by hooman

Replies: 0
Views: 21,896

April 11, 2025, 06:47:04 PM
by hooman

Error while using supercelled structure

Started by jeonghyeon

Replies: 0
Views: 22,090

December 25, 2019, 09:34:18 AM
by jeonghyeon

Making OPLS benzene molecules

Started by don

Replies: 0
Views: 22,254

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

Error - mixed gas adsorption

Started by chenglong

Replies: 1
Views: 22,278

June 08, 2021, 02:11:36 PM
by David Dubbeldam

HYDRATED_ION_WATER potential

Started by haoyuan

Replies: 1
Views: 22,416

March 14, 2022, 07:09:14 PM
by David Dubbeldam

Question about Gibbs simulation of H2

Started by Kimchen

Replies: 0
Views: 22,464

March 20, 2025, 12:32:28 PM
by Kimchen

About modifying the potential energy formula inside the RASPA source code

Started by Cindy

Replies: 1
Views: 22,477

May 27, 2022, 01:47:08 PM
by David Dubbeldam

setup for energy-bias GCMC?

Started by paulboone

Replies: 1
Views: 22,496

April 24, 2020, 07:41:49 PM
by David Dubbeldam

MSD: increasing the length of the simulation

Started by VaeS

Replies: 1
Views: 22,531

July 06, 2019, 04:32:55 PM
by David Dubbeldam

Help with Simulating Henry's Coefficient of Methane and CO₂ in Water Using RASPA

Started by jemilu

Replies: 0
Views: 22,846

November 27, 2024, 10:02:20 AM
by jemilu

Choosing space group

Started by Eliyhau

Replies: 1
Views: 22,877

April 09, 2020, 09:42:02 AM
by David Dubbeldam