Hi AMBER
I emailed yesterday about tracking a water molecule. I have created
water trajectories using "closest" ("closest 3 :557.NH1 oxygen") command
in ptraj. This seems to work fine. I get a mdcrd output of the
trajectories. However, when I try to measure the distance between
residue 557.NH1 to the first water oxygen over the trajectories I get
this error: "./ptraj Memory fault".
My input is as follows:
Trajin File.mdcrd
Distance one time 5 :557.NH1 :1.O file.txt
Go
My output seems to be ok down to "processing AMBER trajectories file X
Set.............."
And then I get the error ."/ptraj Memory fault" There is no dumping of
data.
I talked to our computer analyst and he informed me that it must be an
AMBER problem.
Can someone help me on this?
Thanks, Steve
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Received on Sun May 04 2008 - 06:07:46 PDT
