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- 13:24, 15 November 2022 diff hist +10 Decoding heat capacity curves current
- 12:32, 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
- 12:27, 15 November 2022 diff hist +85 Preparing input files for a peptide using AMBER →Step 4: Symmetrise the topology file so obtained
- 12:25, 15 November 2022 diff hist +9 Preparing input files for a peptide using AMBER →Step 3: Minimising the structure using sander
- 12:23, 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
- 12:23, 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
- 12:19, 15 November 2022 diff hist +3 Preparing input files for a peptide using AMBER →Step 0: Download and install AMBER
- 12:18, 15 November 2022 diff hist +23 Preparing input files for a peptide using AMBER →Step 0: Have amber on your system
- 10:20, 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
- 10:17, 28 October 2021 diff hist +79 Comprehensive Contents Page →PATHSAMPLE current
- 09:11, 12 October 2021 diff hist +49 Preparing input files for a peptide using AMBER →Step 3: Minimising the structure using sander
- 09:08, 12 October 2021 diff hist +63 Preparing input files for a peptide using AMBER →Step 0: Have amber on your system
- 14:42, 11 October 2021 diff hist -1 Preparing input files for a peptide using AMBER →Step 3: Minimising the structure using sander
- 14:39, 11 October 2021 diff hist +540 Preparing input files for a peptide using AMBER →Step 3: Minimising the structure using sander
- 14:17, 11 October 2021 diff hist +305 Preparing input files for a peptide using AMBER →Step 8: Creating atomgroups file
- 14:13, 11 October 2021 diff hist +3 Preparing input files for a peptide using AMBER →Step 7: Creating topology file for modified force field ff99IDPs
- 10:46, 11 October 2021 diff hist +174 Preparing input files for a peptide using AMBER →Step 4: Symmetrise the topology file so obtained
- 10:16, 11 October 2021 diff hist +1,775 Preparing input files for a peptide using AMBER →Step 8: Creating atomgroups file
- 09:30, 11 October 2021 diff hist -6 Preparing input files for a peptide using AMBER →Step 6: Check symmetrisation
- 09:27, 11 October 2021 diff hist +114 Preparing input files for a peptide using AMBER
- 15:15, 9 October 2021 diff hist +1,160 Preparing input files for a peptide using AMBER
- 14:59, 9 October 2021 diff hist +106 Preparing input files for a peptide using AMBER
- 14:57, 9 October 2021 diff hist -2 Preparing input files for a peptide using AMBER
- 14:57, 9 October 2021 diff hist +3,270 Preparing input files for a peptide using AMBER
- 08:17, 8 October 2021 diff hist +900 Preparing input files for a peptide using AMBER
- 07:53, 8 October 2021 diff hist -5 Preparing input files for a peptide using AMBER
- 16:05, 7 October 2021 diff hist +150 Preparing input files for a peptide using AMBER
- 16:01, 7 October 2021 diff hist +71 Comprehensive Contents Page →AMBER
- 16:00, 7 October 2021 diff hist -71 AMBER →Tutorials current
- 15:56, 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..."
- 15:51, 7 October 2021 diff hist +71 AMBER →Tutorials
- 13:23, 17 September 2021 diff hist +474 Symmetrising AMBER topology files current
- 14:13, 22 July 2021 diff hist +2 Compiling Wales Group codes using cmake
- 14:12, 22 July 2021 diff hist +381 Compiling Wales Group codes using cmake
- 18:18, 19 July 2021 diff hist +193 Preparing an AMBER topology file for a protein system current
- 17:00, 11 January 2021 diff hist +150 m Compiling Wales Group codes using cmake svn replaced with softwarewales
- 11:20, 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
- 11:12, 18 May 2020 diff hist +9 Comprehensive Contents Page →Cluster queues
- 11:09, 18 May 2020 diff hist +4 Interactive jobs on cluster current
- 11:08, 18 May 2020 diff hist 0 Interactive jobs on cluster
- 11:05, 18 May 2020 diff hist +228 Interactive jobs on cluster
- 10:55, 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..."
- 10:15, 18 May 2020 diff hist +34 Comprehensive Contents Page →Cluster queues
- 18:08, 13 April 2020 diff hist -1 Beginner's guide to working in Wales group
- 15:15, 13 April 2020 diff hist -32 Beginner's guide to working in Wales group
- 12:27, 13 April 2020 diff hist +9 Beginner's guide to working in Wales group
- 12:25, 13 April 2020 diff hist +100 Beginner's guide to working in Wales group
- 11:59, 13 April 2020 diff hist +14 Beginner's guide to working in Wales group →How to add papers to group bib?
- 11:58, 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..."
- 11:27, 13 April 2020 diff hist +49 Comprehensive Contents Page →Miscellaneous