From: Sheena Singh (
Date: Thu Apr 12 2018 - 10:07:09 CDT

My reaction coordinate values are changing from the solvated pdb when
compared to the crystal structure. Could anybody suggest me ways of undoing
that. The command that i am using for solvation is :
 solvate ubq.psf ubq.pdb -t 5 -o ubq_wb

Sheena Singh