Subject: a general question about simulation

From: wei <[email-masked]>
Date: Sun, 13 Apr 2003 12:34:48 -0400

Dear All:

I have a general question about the peptide simulation, would anyone kindly give me some help about this?

I read in many papers that when people do the simulation, they usually minimized the peptide in vacuum, then plug it in the solvent, then they fix the peptide and
 minimize the solvent to release the constraint. my question is why we need to fix the peptide at this step. is it better that we simply minimize the whole system?

Wei