Hi everyone I am facing this error kindly guide me
+--- Sp0 probably means a new atom type is involved
+--- which needs to be added via addAtomTypes
ERROR: Comparing atoms
.R<HEO 187>.A<ND 55>,
.R<HEO 187>.A<NC 39>,
.R<HEO 187>.A<NB 23>, and
.R<HEO 187>.A<NA 2>
to atoms
.R<HEO 187>.A<ND 55>,
.R<HEO 187>.A<NC 39>,
.R<HEO 187>.A<O1 74>, and
.R<HEO 187>.A<NA 2>
This error may be due to faulty Connection atoms.
!FATAL ERROR----------------------------------------
!FATAL: In file [chirality.c], line 142
!FATAL: Message: Atom named O1 from HEO did not match !
!
!ABORTING.
Kind Regards
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jul 11 2017 - 09:30:02 PDT
