AMBER Archive (2006)

Subject: AMBER: Calculation of g(r) from PTRAJ

From: Ananda Rama Krishnan Selvaraj (ananda.selvaraj_at_chemie.uni-halle.de)
Date: Sun Apr 16 2006 - 05:33:25 CDT

Dear Amber Users,
                     I have made the MD simulation for organic system at
different temperatures without using any solvents. Now, i am interested
to calculate the radial distribution function <g(r)> from PTRAJ of
AMBER7 version.

In the manual, the syntax for the calculation of g(r)function is given
for solvent and solute system.

so could anyone suggest the correct syntax for this calculation without
solvent molecules.

thanks
Anand

 
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