Dear All amber users,
I am simulating a organic molecule in 128 methanol and i want to calculate
RDF between Methanol_oxygen to methanol_oxygen. For this i used following
input.
trajin x.mdcrd
radial rdf-moh-O-O.dat 0.1 8 :MOH.O1 :MOH.O1 volume intrdf int-moh-o-o.dat
go
this input give good RDF but a very poor integration N(r) upto in hundreds
. I am using CPPTRAJ 13.24 with all updates.What is the problem behind
this. Please help me in this regard.
Thanking You.
--
Robin Jain
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Received on Wed Jun 24 2015 - 23:00:03 PDT
