Dear amber user
I am simulating a water box in amber10.Which has only SPC water.
Now i want to calculate Ow-Ow rdf and Ow-Hw rdf . My ptraj input is
*input
*trajin xxxx.mdcrd
radial Ow_Oh_rdf .01 10 :WAT.O :WAT.H
when i calculate rdf for this input no hydrogen atom is detecting.
But When I write :WAT.H1,it detecting the H1 atom .
Which gave a RDF plot. But is not giving a good plot.
is there my input is wrong ?? or is my atom selection wrong.
please help me regarding this.
thanking You
subrata
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jan 05 2011 - 05:30:06 PST
