Re: [Jmol-users] MEP Color Range

Charges at atoms have to be summed using q/r for each point on the isosurface. So the values at the surface are different from the values at the atoms (smaller values). For example: $ load c6h6.smol $ isosurface molecular map mep isosurface1 created with cutoff=0.0; number of isosurfaces = 1

Re: [Jmol-users] MEP Color Range

Bob, On 9/15/2010 11:47 AM, Robert Hanson wrote: Charges at atoms have to be summed using q/r for each point on the isosurface. So the values at the surface are different from the values at the atoms (smaller values). For example: OK, I get it. The first data range in the message is the

[Jmol-users] An Old Problem Comes Back

Bob, I'm using 12.1.11_dev. I think a previously fixed problem has reappeared. See the image below for ethyne loaded from JME: A "delete hydrogen;calculate hydrogens" on a ethyne also produces an old problem result: Otis