Input files and parameters

Makegrid

Started by Daqiang

Replies: 1
Views: 6,326

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

turning on polarizability

Started by lifesmiel

Replies: 1
Views: 6,140

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

Establishing water model and simulation pressure setup

Started by Jianbo

Replies: 3
Views: 6,034

July 14, 2020, 12:55:30 PM
by dubbelda

Crash restart

Started by mhaeri

Replies: 1
Views: 6,011

December 05, 2024, 06:20:53 AM
by trannghia207

BarrierCrossing examples?

Started by haoyuan

Replies: 1
Views: 6,002

May 08, 2018, 01:38:05 PM
by David Dubbeldam

How to define 'radii' in the pseudo_atom.def file

Started by j.pu@hotmail.com

Replies: 2
Views: 5,798

June 12, 2022, 04:04:44 AM
by j.pu@hotmail.com

PartionFunction in Reactive Ensemble

Started by Junran Lu

Replies: 2
Views: 5,778

November 13, 2018, 03:59:12 AM
by Junran Lu

Different cutoff for vapor and liquid boxes in Gibbs ensemble MC

Started by ssharlin

Replies: 2
Views: 5,769

June 30, 2022, 10:36:15 PM
by ssharlin

Idealgasrosenbluchweight

Started by peter

Replies: 2
Views: 5,742

July 16, 2022, 01:00:43 PM
by peter

Various CutOff's and their default values

Started by neumannrf

Replies: 3
Views: 5,705

November 04, 2020, 09:53:18 AM
by Christopher

Segmentation fault (core dumped )

Started by behra

Replies: 2
Views: 5,662

March 14, 2022, 06:56:34 PM
by David Dubbeldam

Understanding the Framework option

Started by shivanand

Replies: 1
Views: 5,540

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

Blocking pockets in MD?

Started by Kajum Safiullin

Replies: 2
Views: 5,539

October 17, 2019, 11:38:26 AM
by Kajum Safiullin

Zero adsorption when intra vdW and Coulomb are on

Started by ae213

Replies: 3
Views: 5,529

January 13, 2021, 07:03:01 PM
by David Dubbeldam

Density histograms

Started by Haolong

Replies: 3
Views: 5,455

June 08, 2021, 02:28:59 PM
by David Dubbeldam

Raspa taking more time

Started by shivanand

Replies: 1
Views: 5,431

September 12, 2019, 08:15:15 PM
by David Dubbeldam

using grids for energy biased monte carlo

Started by wei123

Replies: 2
Views: 5,414

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

Density by NPT MC and MD

Started by ae213

Replies: 1
Views: 5,410

August 20, 2020, 12:18:20 PM
by dubbelda

TIP4P model

Started by Nourissa

Replies: 1
Views: 5,390

May 27, 2022, 01:53:56 PM
by David Dubbeldam

David come here! Questions about FEYNMAN HIBBS LENNARD JONES calculation

Started by Einstein

Replies: 1
Views: 5,369

July 06, 2019, 04:31:16 PM
by David Dubbeldam