[gmx-users] Confusion Regarding Vacuum
csreddy at ncbs.res.in
csreddy at ncbs.res.in
Mon Nov 26 13:36:46 CET 2007
Dear All,
I am a bit confused regarding Vacuum. I wanted to do EM in Vacuum. I
think I can proceed either of the below...
1) I create a box (editconf) and place a molecule with out solvent.
2) Never create a box, then proceed other steps as usual like EM etc.
Can we call 2nd option also a vacuum and what is more appropriate?
Regards
Chandu
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