Input files and parameters

Configuration Files

Started by arsgk

Replies: 1
Views: 4,742

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

David come here! Questions about FEYNMAN HIBBS LENNARD JONES calculation

Started by Einstein

Replies: 1
Views: 4,772

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

Density by NPT MC and MD

Started by ae213

Replies: 1
Views: 4,774

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

Raspa taking more time

Started by shivanand

Replies: 1
Views: 4,810

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

Density histograms

Started by Haolong

Replies: 3
Views: 4,811

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

Zero adsorption when intra vdW and Coulomb are on

Started by ae213

Replies: 3
Views: 4,893

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

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

Started by j.pu@hotmail.com

Replies: 2
Views: 4,900

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

Understanding the Framework option

Started by shivanand

Replies: 1
Views: 4,902

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

Blocking pockets in MD?

Started by Kajum Safiullin

Replies: 2
Views: 4,918

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

Various CutOff's and their default values

Started by neumannrf

Replies: 3
Views: 4,988

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

Segmentation fault (core dumped )

Started by behra

Replies: 2
Views: 4,992

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

Idealgasrosenbluchweight

Started by peter

Replies: 2
Views: 5,088

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

Different cutoff for vapor and liquid boxes in Gibbs ensemble MC

Started by ssharlin

Replies: 2
Views: 5,103

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

PartionFunction in Reactive Ensemble

Started by Junran Lu

Replies: 2
Views: 5,120

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

Crash restart

Started by mhaeri

Replies: 1
Views: 5,336

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

BarrierCrossing examples?

Started by haoyuan

Replies: 1
Views: 5,375

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

Establishing water model and simulation pressure setup

Started by Jianbo

Replies: 3
Views: 5,390

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

turning on polarizability

Started by lifesmiel

Replies: 1
Views: 5,501

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

Makegrid

Started by Daqiang

Replies: 1
Views: 5,687

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

Minimization

Started by Junran Lu

Replies: 2
Views: 5,706

April 10, 2018, 04:35:53 AM
by Junran Lu