bug:when generating 6site-ice ,the structual of water molecule is wrong
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YueCuiyi commented
bug:when generating 6site-ice ,the structual of water molecule is wrong
usage: genice --water 6site --format g Ih > 6siteIh16.gro
I found the distance between O and other atom in the same 6site-water molecule is ten times that of correct one.
vitroid commented
Thank you very much! I fixed the bug and released as v1.0.11.
vitroid commented
Now the bug is also fixed in master branch.