VMD-L Mailing List

From: Sheena Singh (sheena28.singh_at_gmail.com)
Date: Thu Apr 12 2018 - 10:07:09 CDT

Hey,
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

Regards,
Sheena Singh