Correction of Lambda Values and Histidine Charge in HPS-Urry Model#3
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vvithurshan wants to merge 2 commits into
Open
Correction of Lambda Values and Histidine Charge in HPS-Urry Model#3vvithurshan wants to merge 2 commits into
vvithurshan wants to merge 2 commits into
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I have modified the charge of H from 0.5 to 0
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I identified and corrected inconsistencies in the HPS-Urry_parameters.csv file related to lambda values. Additionally, I adjusted the charge of Histidine in the hps_parser.py script to reflect a value of 0, as defined by the HPS-Urry model.