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Sorry Xavier but i don't understand , i need that all my systems have the
same number of h2o<br>
in gromacs , how i do that
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<div>1- editconf -f p.gro -o p.gro -bt cubic -c -d 0.7<br>
2- genbox -cp p.gro -cs spc216.gro -o p.gro -p p.top<br>
my peptides have diferent structure , and then my BOX <br>
and my number of H2O are diferent, my question is<br>
hOW COULD I GENERATE exactly the same number of solvent <br>
molecules and box size.</div>
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<div><font face="Arial" size="2">include the solvent in your SA. I did
that too with gromacs. It works</font></div>
<div><font face="Arial" size="2">fine. And don't need a big box for 11
residues. </font></div>
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<div><font face="Arial" size="2">The implicit solvent SA I used before
was with CHARMM implemented</font></div>
<div><font face="Arial" size="2">in the lab by. S. Hassan. Can write him
a message at</font></div>
<div><font face="Arial" size="2"><a href="mailto:mago@inka.mssm.edu">mago@inka.mssm.edu</a> you'll
need CHARMM though</font></div>
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<div><font face="Arial" size="2">XAvier</font></div>
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