VMD-L Mailing List

From: Vlad Cojocaru (Vlad.Cojocaru_at_mpi-bpc.mpg.de)
Date: Thu Aug 22 2002 - 10:58:09 CDT

dear VMD users,
   I am trying to read some cube files with VMD. I downloaded the script
from the library and after I loaded the pdb and then read the cube file
I got the following:

topLabel = >Calculation of electrostatic
potential <
Second line = >SCF Total Density<
Number of atoms: 18
Origin: -5.88309354688 -5.33054332797 -3.45521941652
 xgrid and vectorX: 74 11.8640319211 0.0 0.0
 ygrid and vectorY: 66 0.0 10.5814338755 0.0
 zgrid and vectorZ: 44 0.0 0.0 7.05428925036
Length of list is 214896, wanted total= 214896
Info) Added volume data, name=Gaussian cube

Could somebody give me some advices how should I proceed? I tried to
create new repr. using Isosurface and VolumeSlice but I do not know how
to set the parameters for retrieving the electrostatic potential
representation for my molecule.
 Thanks a lot in advance for any advice,
Best regards,
vlad 

-- 
Vlad Cojocaru 
Max Planck Institut for Biophysical Chemistry 
Deparment: 060 
Am Fassberg 11, 37077 Goettingen, Germany 
tel: ++49-551-201.1389 
e-mail: Vlad.Cojocaru_at_mpi-bpc.mpg.de