[gmx-users] Problem about *pdbgmx
sudheer.pbm07 at gmail.com
Thu Mar 13 12:09:25 CET 2008
I want to protonate only HIS residues in my protein , so I gave command
like this *pdb2gmx -f protein.pdb -HIS then it asked which number of HIS to
protonate, I gave numbers of HIS residues which I want protonate , it ran
fine without error, but when I open conf.gro file, along with HISH, LYS also
protonating and form LYSH. In input file LYS present like this. Why it
happening like this?
Pls help me.
Thanks in advance.
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