On Sat, Apr 05, 2014, ye renlo wrote:
> The atoms in the sustiva.mol2 are assigned the correct gaff atom types,but
> the problem arises when sustiva.mol2 is loaded into Leap(AmberTools 13).
> The atom type of Cl is correct with the gaff atom type cl,but when I edit
> atom Cl in xleap using graphic atom editor, the *ELEMENT* property of the
> Cl is found to be *C* , not Cl . Also , the prmtop file created using
> saveamberparm command shows the same problem as that described by Rohit in
> original topic.
Thanks for the report. This will be fixed in the upcoming release of
AmberTools.
...regards...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Apr 05 2014 - 11:30:12 PDT
