Dear Amber users
I want to analyze the ligand-receptor interactions through LIE command
using CPPTRAJ. I have gone through mannual but could not get how to prepare
input file. I have used the following input file:
trajin *.crd
center origin :1-20
image origin center
strip : Na+
strip : WAT
lie ligandmask :20-20
lie surrounding mask :1-19
lie cutvdw 12.0 cutelec 12.0 out lie.out
run
After running this input file I am getting this message:
Warning: file lie.out has no sets containing data.
Any help is highly appreciated.
Regards,
Richa
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Received on Fri Jan 22 2016 - 04:30:03 PST
