Dear AMBER Members,
I am new in using AMBER 7, and I need to calculate the RESP charges for a
specific nucleic acid molecule. After using the G98 to minimize the
structure and to find the ESP charges in a HF/6-31G(d) field-basis set,
and then using 'antechamber' to get the RESP charges, I got the *.pdb
file. (It was automatically created by antechamber) I want to visualize
this pdb file such that I can see the RESP Charges next to each
corresponding atom. I have used the VMD, but it seems that there is no
command to put these RESP charges next to each corresponding atom. Can you
give me any suggestions how to do this? It is possible to put the charges
by first getting a picture of the molecule, and using ADOBE Photoshop to
write down the charges seperately, but it will take some time of me. Any
suggestions are welcome and thanks in advance...
--
Ilyas Yildirim
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- Department of Chemisty - Home Address: -
- University of Rochester - -
- Hutchison Hall, Office B10 - 60 Crittenden Blvd. Apt. 232 -
- Rochester, NY 14627-0216 - Rochester, NY 14620 -
- Ph.:(585) 275 20 31 (Office) - Ph.:(585) 242 91 37 (Home) -
- Homepage: http://www.pas.rochester.edu/~yildirim/ -
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Received on Fri Jan 23 2004 - 18:53:01 PST
