Input files and parameters

Crash restart

Started by mhaeri

Replies: 0
Views: 2,029

September 16, 2023, 03:50:30 AM
by mhaeri

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

Started by mhaeri

Replies: 0
Views: 1,975

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

Problem with pressure calculations during adsorption

Started by Temoor

Replies: 0
Views: 1,284

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

Using RestartInitial

Started by vgd_127

Replies: 0
Views: 1,768

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

RDF for adsorption

Started by mhaeri

Replies: 0
Views: 1,242

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

The input file for the system with large numbers of atoms

Started by xiaoboy

Replies: 0
Views: 1,917

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: 1,858

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

Error while using supercelled structure

Started by jeonghyeon

Replies: 0
Views: 2,285

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

Making OPLS benzene molecules

Started by don

Replies: 0
Views: 1,924

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

No VDW interaction

Started by CharleneZ

Replies: 0
Views: 1,204

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

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

Started by Cheng

Replies: 0
Views: 1,706

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

TraPPE-EH force field in molecule definitions

Started by GIV

Replies: 1
Views: 2,888

December 05, 2019, 04:28:53 PM
by David Dubbeldam

Question on Pseudo_atom.def

Started by Junran Lu

Replies: 1
Views: 3,972

April 25, 2018, 05:59:16 PM
by David Dubbeldam

turning on polarizability

Started by lifesmiel

Replies: 1
Views: 3,500

March 28, 2018, 09:18:16 PM
by David Dubbeldam

MC and MD inconsistency

Started by skvara.jiri

Replies: 1
Views: 2,386

May 14, 2020, 08:07:21 PM
by David Dubbeldam

setup for energy-bias GCMC?

Started by paulboone

Replies: 1
Views: 2,424

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

Configuration Files

Started by arsgk

Replies: 1
Views: 3,025

November 26, 2018, 06:54:08 PM
by David Dubbeldam

Computing Pressure exerted by fluid between surfaces

Started by shivanand

Replies: 1
Views: 2,363

August 31, 2019, 07:32:41 PM
by David Dubbeldam

Makegrid

Started by Daqiang

Replies: 1
Views: 3,762

April 25, 2018, 06:00:05 PM
by David Dubbeldam

Understanding the Framework option

Started by shivanand

Replies: 1
Views: 2,968

July 06, 2019, 04:05:43 PM
by David Dubbeldam