restart from different snap shots

From: Jorgen Simonsen (jorgen589_at_gmail.com)
Date: Tue Aug 10 2010 - 06:05:25 CDT

Hi all,

I have performed a simulation and some of the states from the simulation I
would like to start from those conformations. So the protein has diffused a
little bit so it is no longer in the center of the simulation box. I do not
have the restart files for all of the states that I would like to start a
new simulation from - it is possible to start the simulation from the vmd
snapshot and put in new values for center of box as well as box size for PME
and PBC? I have a hard time to reproduce the number of water molecules if I
just take the protein and redo the solvation process along with
minimization.

Thanks in advance

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