[gmx-users] Error with a ligand molecule by ATB
myunggi at pukyong.ac.kr
Tue Nov 15 12:34:34 CET 2016
Thank you. I solved the problem already.
The file provided by ATB had a problem, and I have fixed it.
2016. 11. 15. 오후 8:13에 "Nikhil Maroli" <scinikhil at gmail.com>님이 작성:
> You might need to check the atom naming in both ligand.gro and *.itp file
> and correct it
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