shahrbanoo at gmail.com
Tue Oct 7 15:38:51 CEST 2008
I made a file with (n1/n2=30) two solvents.I want to equilbrate this
file.then I must minimize and run md(pre md ).please correct me if It
is not right.
editconf -f test42.pdb(this file) -bt dodecahedron - d 0.5 -o box.gro
as you tell for delet periodicity
editconf -f box.pdb -princ -pbc -vdwread
I could minimiz it.and now I have a distorted file .how can steady
and smooth .
do you think I have to do long md for it or another else?
best and thank you
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