Dear users,
I am using leap programme in Amber tools 1.4 for generating
topology (parmtop) file for DNA with ' parmbsc0 ' force field. I was
looking for the atomic point charges amber assigned for the back bone
phosphate oxygen atoms in the topology file. In the topology file atomic
charge on Oxygen is found to be ' -1.41423270E+01' , but in the library
file ' all_nucleic94.lib' charge on Oxygen is ' -0.776100 ' . Why this
difference in atomic charge?
Thanks in advance
Sincerely
Aneesh
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Sep 18 2010 - 03:30:03 PDT
