Hi, everyone,
When I use "watershell" command in the Ptraj to calculate the number of the waters in a certain distance, I am just thinking, is it possible to calculate this number within a centain distrance from the center of mass of the molecule?
I have the same problem when I use "distance" command to calculate the distance between the specified atoms to the center of mass of the molecule.
Thanks a lot for your any help!
Esther B.
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Received on Wed Jan 31 2007 - 06:07:43 PST
