Input files and parameters

Flexible and chiral molecules

Started by bz475

Replies: 2
Views: 9,397

January 20, 2021, 05:54:35 PM
by bz475

Bulk Density Validation by MC

Started by Bourne

Replies: 0
Views: 10,037

August 07, 2024, 04:04:41 AM
by Bourne

Problem in adsorption

Started by bluebox3486

Replies: 1
Views: 11,227

September 25, 2022, 05:42:33 PM
by David Dubbeldam

Segmentation fault (core dumped )

Started by behra

Replies: 2
Views: 10,202

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

Configuration Files

Started by arsgk

Replies: 1
Views: 9,461

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

Run RASPA simulation with Rigid MOF structure

Started by AntonioDouglas

Replies: 1
Views: 13,563

September 07, 2024, 08:51:18 AM
by Lingxiao Qin

ChargeFromChargeEquilibration

Started by anne

Replies: 4
Views: 14,656

January 28, 2019, 07:57:40 PM
by David Dubbeldam

Anisotropic volume change in Box definition

Started by Amal k

Replies: 0
Views: 9,225

November 13, 2025, 02:28:00 PM
by Amal k

chemical potential in input file

Started by ae213

Replies: 2
Views: 12,960

October 01, 2018, 08:06:52 PM
by ae213

Torsional potential with phase angle term

Started by ae213

Replies: 1
Views: 8,911

May 14, 2020, 08:05:08 PM
by David Dubbeldam

Density by NPT MC and MD

Started by ae213

Replies: 1
Views: 10,543

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

Average configuration as restart-file

Started by ae213

Replies: 1
Views: 8,825

August 31, 2019, 07:37:30 PM
by David Dubbeldam

Zero adsorption when intra vdW and Coulomb are on

Started by ae213

Replies: 3
Views: 10,963

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