change caused by the parameter file

Jinsong Liu jinsong at THYMINE.RUTGERS.EDU
Mon Nov 25 15:35:46 EST 1996


When I used the new parameter file: protein_rep.param and calculated the bulk
solvent correction by setup_bulksol.inp, I found that things changed. For example, average mask radius changed from 2.0A to 1.7A, volume outside mask changed 
from 27% to 37%, and R( and Free)-factor changed by about 1%. 
I used to use parhcsdx.pro even in X-PLOR 3.854. I just happended to use the 
protein_rep.param and realized the changes.

Anyone has similar experience and can explain why the solvent volume changed 
so much?

Thanks.

jinsong



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