[gmx-users] dealing with ATP
sajadahrari at yahoo.com
Sat Apr 23 14:48:25 CEST 2011
i am working with a protein witch holds a hetero-atom in it's pdb structure. the
hetero-atom is named "d" and stands for "ADP+SO4" (in fact the third phosphate
of ATP is being substituted with SO4). i wanted to know if gromacs holds a
feature to change "d" into ATP? and if so do i need to introduce ATP for Gromacs
or it is known for the program?
i do appreciate your help!
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