Dear Amber Users,
I am trying to postprocess a trajectory of a simulation
in a octahedral box to get the water molecules back to
the box around a DNA (atoms 1-762):
image center familiar com :1-762
The result is a discontinuous, fragmented water environment
around the DNA. Help on how to do this correctly with ptraj
(amber6) is welcome!
Thank you,
Peter Varnai
Received on Tue Mar 13 2001 - 07:47:28 PST
