[gmx-users] Perturbation of HISB to HISH

Binbin Liu bmbbl at bmb.leeds.ac.uk
Thu Apr 14 12:13:00 CEST 2005

Dear all,

Does any one have any ideas that how a neutral histidine could be perturbated 
to +1 charged histidine? I checked the charge difference of every atoms in 
two types of histidine. Several atoms are involved in the charge changes. 
Does it mean those atoms' charge need to be perturbated simultaneously?

Thanks in advance.

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