Input files and parameters

Some problems on the representation of Feynman Hibbs quartic effective potential

Started by Cindy

Replies: 0
Views: 3,502

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

About modifying the potential energy formula inside the RASPA source code

Started by Cindy

Replies: 1
Views: 4,181

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

Makegrid

Started by Daqiang

Replies: 1
Views: 5,519

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

Use of dreiding force field

Started by debelan1

Replies: 1
Views: 3,826

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

Making OPLS benzene molecules

Started by don

Replies: 0
Views: 3,524

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

David come here! Questions about FEYNMAN HIBBS LENNARD JONES calculation

Started by Einstein

Replies: 1
Views: 4,616

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

Choosing space group

Started by Eliyhau

Replies: 1
Views: 4,226

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

No scaling in Intra14VDW/Intra14Columb

Started by Eliza

Replies: 1
Views: 3,824

July 05, 2020, 03:04:24 PM
by Christopher

Calculation of adsorbed liquid mixture

Started by Fan Honglei

Replies: 2
Views: 4,184

November 08, 2021, 02:38:17 AM
by Fan Honglei

TraPPE-EH force field in molecule definitions

Started by GIV

Replies: 1
Views: 4,531

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

amorphous polymer can be used as adsorbent

Started by h1h2x3

Replies: 1
Views: 3,589

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

Density histograms

Started by Haolong

Replies: 3
Views: 4,642

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

Question on how to describe ions' chemical potential

Started by Haolong

Replies: 2
Views: 4,505

February 12, 2020, 05:49:39 AM
by Haolong

Change input file when restart

Started by Haolong

Replies: 4
Views: 5,562

January 10, 2021, 03:34:49 PM
by mhaeri

BarrierCrossing examples?

Started by haoyuan

Replies: 1
Views: 5,208

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

HYDRATED_ION_WATER potential

Started by haoyuan

Replies: 1
Views: 3,735

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

Charge equilibration for MOFs

Started by ignas

Replies: 3
Views: 5,967

October 24, 2020, 08:59:20 PM
by behra

I need help running MC simulation for atmospheric water adsorption

Started by Ismail

Replies: 0
Views: 168

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

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

Started by j.pu@hotmail.com

Replies: 2
Views: 4,715

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

ReturnPseudoAtomNumber Error

Started by jelco

Replies: 3
Views: 5,581

November 28, 2020, 08:21:11 PM
by David Dubbeldam