[gmx-users] steady
shahrbanoo karbalaee
shahrbanoo at gmail.com
Thu Oct 9 14:36:18 CEST 2008
Dear justin
a) if I want to have the steady and hemogen for mix solvent , do I
have to use this command (when I made genbox box 16.16.24 before
that)?
:editconf -f conf.gro -bt dodecahedron -d 0.5 -o box.gro
b) I use trjconv -pbc mol -ur compact and then minimize .when I see
the output this part in vmd or ngmx and around X-rotate.I will see
water in top and tfe in down box and another roatation the box is
seemed hemogen ous .is it correct?
about distortion ,my mean is"donot have periodicity and hemogenity"
thanks and appreiciate u
--
sh-karbalaee
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