On Fri, May 08, 2015, nibedita jana wrote:
> HEM = loadmol2 heme.mol2
How did you create the heme.mol2 file? Can you manually check its list of
bonds, especially looking at any bonds involving NA,NB,NC,ND and O1? One
quick way would be to use xleap, and to "edit" (i.e. visualize) the HEM unit.
...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri May 08 2015 - 05:30:03 PDT
