[gmx-users] steady

shahrbanoo karbalaee shahrbanoo at gmail.com
Tue Oct 7 15:38:51 CEST 2008

Dear justin
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.
I use
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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