[gmx-users] regarding pdb

pratibha kapoor kapoorpratibha7 at gmail.com
Sun Jul 13 13:52:32 CEST 2014


Hi,

I would like to simulate apo form (without metal ions) of my protein for
which no pdb is available.
Would it be correct if I just remove the metal ions manually from the
metallated pdb file and then simulate?


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