[gmx-users] solvation of protein
Srivastava, Dhiraj (UMC-Student)
dshv6 at mizzou.edu
Sun Jul 16 06:34:16 CEST 2006
when i am trying to solvate my protein in water box, i am not getting my protein in the center of but at one face of water box with some atoms outside waterbox. what should i do for this problem? should i move center of my protein to the center of water box using some tcl script in vmd?
how can i include the crystallographic water in the *.gro file for simulation?
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