[gmx-users] tip3p water model
sudheer.pbm07 at gmail.com
Fri Oct 3 19:50:27 CEST 2008
I want to use tip3p water model when I mention this model with flag -cs by
genbox command it showed that no program for tip3p.gro,
from this link
I understood that mention -spc water model in genbox command but in .top
file edit #tip3p.itp# so it can take as tip3p water model.
1.My doubt is I am mentioning -spc in genbox command but how it will change
to tip3p by simply editing in .top file?
2. From literature I found that tip3p HOH angle 104.5 degree but spc model
HOH angle 109.4 degree and it shows ideal tetral hedral shape,
So mostly people are prefer to use tip3p rather than spc, am i right?
Can clear me this doubt
Thanks in advance.
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