User contributions for Nn320

15 November 2022

• 13:2413:24, 15 November 2022 diff hist +10‎ Decoding heat capacity curves ‎No edit summary current
• 12:3212:32, 15 November 2022 diff hist −64‎ Preparing input files for a peptide using AMBER ‎ →‎Step 7: Creating topology file for modified force field ff99IDPs current
• 12:2712:27, 15 November 2022 diff hist +85‎ Preparing input files for a peptide using AMBER ‎ →‎Step 4: Symmetrise the topology file so obtained
• 12:2512:25, 15 November 2022 diff hist +9‎ Preparing input files for a peptide using AMBER ‎ →‎Step 3: Minimising the structure using sander
• 12:2312:23, 15 November 2022 diff hist +55‎ Preparing input files for a peptide using AMBER ‎ →‎Step 1: Make topology and coordinates file using tleap in AMBER
• 12:2312:23, 15 November 2022 diff hist +104‎ Preparing input files for a peptide using AMBER ‎ →‎Step 1: Make topology and coordinates file using tleap in AMBER
• 12:1912:19, 15 November 2022 diff hist +3‎ Preparing input files for a peptide using AMBER ‎ →‎Step 0: Download and install AMBER
• 12:1812:18, 15 November 2022 diff hist +23‎ Preparing input files for a peptide using AMBER ‎ →‎Step 0: Have amber on your system

28 October 2021

• 10:2010:20, 28 October 2021 diff hist +1,731‎ N Adding several minima obtained using GMIN (maybe using BHPT) to min.data ‎ Created page with "For biomolecules, if you know the global minimum, then try to save (using SAVE keyword in GMIN) minima within 20 kcal/mol of global minimum. The minima are saved in xyz format..." current
• 10:1710:17, 28 October 2021 diff hist +79‎ Comprehensive Contents Page ‎ →‎PATHSAMPLE current

12 October 2021

• 09:1109:11, 12 October 2021 diff hist +49‎ Preparing input files for a peptide using AMBER ‎ →‎Step 3: Minimising the structure using sander
• 09:0809:08, 12 October 2021 diff hist +63‎ Preparing input files for a peptide using AMBER ‎ →‎Step 0: Have amber on your system

11 October 2021

• 14:4214:42, 11 October 2021 diff hist −1‎ Preparing input files for a peptide using AMBER ‎ →‎Step 3: Minimising the structure using sander
• 14:3914:39, 11 October 2021 diff hist +540‎ Preparing input files for a peptide using AMBER ‎ →‎Step 3: Minimising the structure using sander
• 14:1714:17, 11 October 2021 diff hist +305‎ Preparing input files for a peptide using AMBER ‎ →‎Step 8: Creating atomgroups file
• 14:1314:13, 11 October 2021 diff hist +3‎ Preparing input files for a peptide using AMBER ‎ →‎Step 7: Creating topology file for modified force field ff99IDPs
• 10:4610:46, 11 October 2021 diff hist +174‎ Preparing input files for a peptide using AMBER ‎ →‎Step 4: Symmetrise the topology file so obtained
• 10:1610:16, 11 October 2021 diff hist +1,775‎ Preparing input files for a peptide using AMBER ‎ →‎Step 8: Creating atomgroups file
• 09:3009:30, 11 October 2021 diff hist −6‎ Preparing input files for a peptide using AMBER ‎ →‎Step 6: Check symmetrisation
• 09:2709:27, 11 October 2021 diff hist +114‎ Preparing input files for a peptide using AMBER ‎No edit summary

9 October 2021

• 15:1515:15, 9 October 2021 diff hist +1,160‎ Preparing input files for a peptide using AMBER ‎No edit summary
• 14:5914:59, 9 October 2021 diff hist +106‎ Preparing input files for a peptide using AMBER ‎No edit summary
• 14:5714:57, 9 October 2021 diff hist −2‎ Preparing input files for a peptide using AMBER ‎No edit summary
• 14:5714:57, 9 October 2021 diff hist +3,270‎ Preparing input files for a peptide using AMBER ‎No edit summary

8 October 2021

• 08:1708:17, 8 October 2021 diff hist +900‎ Preparing input files for a peptide using AMBER ‎No edit summary
• 07:5307:53, 8 October 2021 diff hist −5‎ Preparing input files for a peptide using AMBER ‎No edit summary

7 October 2021

• 16:0516:05, 7 October 2021 diff hist +150‎ Preparing input files for a peptide using AMBER ‎No edit summary
• 16:0116:01, 7 October 2021 diff hist +71‎ Comprehensive Contents Page ‎ →‎AMBER
• 16:0016:00, 7 October 2021 diff hist −71‎ AMBER ‎ →‎Tutorials current
• 15:5615:56, 7 October 2021 diff hist +9,135‎ N Preparing input files for a peptide using AMBER ‎ Created page with "How to create input files for a peptide for use with GMIN? The steps given below are when you are trying to use one of the AMBER force fields. Step 0: Having amber on your s..."
• 15:5115:51, 7 October 2021 diff hist +71‎ AMBER ‎ →‎Tutorials

17 September 2021

• 13:2313:23, 17 September 2021 diff hist +474‎ Symmetrising AMBER topology files ‎No edit summary current

22 July 2021

• 14:1314:13, 22 July 2021 diff hist +2‎ Compiling Wales Group codes using cmake ‎No edit summary
• 14:1214:12, 22 July 2021 diff hist +381‎ Compiling Wales Group codes using cmake ‎No edit summary

19 July 2021

• 18:1818:18, 19 July 2021 diff hist +193‎ Preparing an AMBER topology file for a protein system ‎No edit summary current

11 January 2021

• 17:0017:00, 11 January 2021 diff hist +150‎ m Compiling Wales Group codes using cmake ‎ svn replaced with softwarewales

18 May 2020

• 11:2011:20, 18 May 2020 diff hist +2,070‎ N Managing interactive jobs on cluster ‎ Created page with "When using cluster it is important to know how to manage interactive jobs. We may want to know what all jobs are running, what all jobs a particular user is running and how to..." current
• 11:1211:12, 18 May 2020 diff hist +9‎ Comprehensive Contents Page ‎ →‎Cluster queues
• 11:0911:09, 18 May 2020 diff hist +4‎ Interactive jobs on cluster ‎No edit summary current
• 11:0811:08, 18 May 2020 diff hist 0‎ Interactive jobs on cluster ‎No edit summary
• 11:0511:05, 18 May 2020 diff hist +228‎ Interactive jobs on cluster ‎No edit summary
• 10:5510:55, 18 May 2020 diff hist +1,838‎ N Interactive jobs on cluster ‎ Created page with "When using cluster it is important to know how to manage interactive jobs. We may want to know what all jobs are running, what all jobs a particular user is running and how to..."
• 10:1510:15, 18 May 2020 diff hist +34‎ Comprehensive Contents Page ‎ →‎Cluster queues

13 April 2020

• 18:0818:08, 13 April 2020 diff hist −1‎ Beginner's guide to working in Wales group ‎No edit summary
• 15:1515:15, 13 April 2020 diff hist −32‎ Beginner's guide to working in Wales group ‎No edit summary
• 12:2712:27, 13 April 2020 diff hist +9‎ Beginner's guide to working in Wales group ‎No edit summary
• 12:2512:25, 13 April 2020 diff hist +100‎ Beginner's guide to working in Wales group ‎No edit summary
• 11:5911:59, 13 April 2020 diff hist +14‎ Beginner's guide to working in Wales group ‎ →‎How to add papers to group bib?
• 11:5811:58, 13 April 2020 diff hist +946‎ N Beginner's guide to working in Wales group ‎ Created page with "===How to add papers to group bib?=== *Make sure you are logged in to your workstation at the department. Whenever asked for a password, enter your admitto password. *Create..."
• 11:2711:27, 13 April 2020 diff hist +49‎ Comprehensive Contents Page ‎ →‎Miscellaneous