Hi all,
I am doing simulations in the explicit water. I want to generate a *.rst
file from the *.mdcrd as a new start state for simulations. I think this
can be done with ptraj command. However, I do not know how to do
this. Could someone help me out? Thanks.
Regards,
Yunjie
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Received on Mon Nov 19 2012 - 12:30:02 PST
