[gmx-users] Water molecule can not be settled‏

zeineb SI CHAIB zeineb-14 at hotmail.com
Fri Jul 1 12:42:28 CEST 2016


Hi Mark, 




I verified the names in the .gro files: all the names are OK!
I also verified a C=C bond distance (within an aromatic cycle) and it is = 3.67 (I took a PDB file used to generate this model  and which contain the THF, the distance between the same atoms were 1,43!!)

Zeineb

 		 	   		   		 	   		  


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