- 22 Mar, 2018 1 commit
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cmaffeo2 authored
Fixed some small bugs; updated intrahelical iteration to use linked-list scheme; updated bead generation
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- 21 Mar, 2018 2 commits
- 20 Mar, 2018 4 commits
- 02 Mar, 2018 1 commit
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cmaffeo2 authored
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- 01 Mar, 2018 1 commit
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cmaffeo2 authored
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- 28 Feb, 2018 2 commits
- 26 Feb, 2018 3 commits
- 21 Dec, 2017 2 commits
- 20 Dec, 2017 3 commits
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cmaffeo2 authored
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cmaffeo2 authored
Updated run script to remove unneeded simulation steps and make fine-resolution model run longer; also added dependency on pynvml to query gpus
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cmaffeo2 authored
Made atomic simulation box smaller, because it's usually too big, causing namd to crash; TODO: calculate size from object
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- 17 Oct, 2017 1 commit
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cmaffeo2 authored
Conflicts: atomicModel.py
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- 18 Sep, 2017 1 commit
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cmaffeo2 authored
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- 31 Aug, 2017 2 commits
- 30 Aug, 2017 1 commit
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cmaffeo2 authored
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- 11 Aug, 2017 8 commits
- 02 Aug, 2017 1 commit
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cmaffeo2 authored
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- 01 Aug, 2017 2 commits
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cmaffeo2 authored
Updated interhelical bond exclusions to be consistent with ENRG MD server; no bonds within 10 angstroms of crossover
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cmaffeo2 authored
Fixed how atoms are indexed to allow interhelical bonds when insertions/deletions are staggered; generalized algorithms for finding indices between crossovers
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- 24 Jul, 2017 1 commit
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cmaffeo2 authored
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- 20 Jul, 2017 3 commits
- 18 Jul, 2017 1 commit
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cmaffeo2 authored
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