[gmx-users] Fwd: Question about editconf -noc flag
jjamesgreen110 at gmail.com
Wed Jul 29 08:32:52 CEST 2015
I have made an oil slab (energy minimized, equilibrated nvt and npt), some
of the oil molecules are at the other end (periodicity).
then I decided to increase the box size in z direction a bit to make enough
room for protein, using
editconf -f OCT_npt.gro -oOCT_newbox.gro -box 6.47271 6.47271 16 -noc
I used the last flag to put the oil at the ends of box but it is not doing
for one end? any thoughts?
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