Hi, everyone,
Would you please tell me how to use ptraj command
to do image? I'm using a periodic waterbox to
calculate a complex in the water. The complex includes
a benzene, a TMA and a chlorine. Now there are three
centers( the center od benzene, the center of TMA and
chlorine mass center). But if I use center command in
ptraj, how to write out the command line and then I
can get the MD results of three distances of three
mass centers?
Thank you!
Best regards,
Hugh
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Received on Tue Feb 04 2003 - 18:35:53 PST
