- Mar 20, 2018
- Mar 02, 2018
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cmaffeo2 authored
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- Mar 01, 2018
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cmaffeo2 authored
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- Feb 28, 2018
- Feb 26, 2018
- Dec 21, 2017
- Dec 20, 2017
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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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- Oct 17, 2017
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cmaffeo2 authored
Conflicts: atomicModel.py
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- Sep 18, 2017
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cmaffeo2 authored
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- Aug 31, 2017
- Aug 30, 2017
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cmaffeo2 authored
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- Aug 11, 2017
- Aug 02, 2017
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cmaffeo2 authored
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- Aug 01, 2017
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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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- Jul 24, 2017
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cmaffeo2 authored
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- Jul 20, 2017
- Jul 18, 2017
- Jul 13, 2017