nmode for S calculation

From: wentaofu <wentaofu.uic.edu>
Date: Tue, 8 Apr 2003 18:22:47 -0500

Dear Amber user,

I am using mm_pbsa to study the interactions between ligands and protein. I
need to use nmode analysis to calculate solute entropy. Based on Peter
Kollman's works, the normal-mode analysis is carried out by averaging entropy
estimate over several snapshots. Is there a program to run the nmode
calculation over several snapshots (by just giving the position of snapshots)
and then average the results automatical? Or, we have to calculate the
snapshots one by one and average it manually.

Wentao Fu
Ctr for Pharm Biotech
University of Illinois at Chicago
Received on Wed Apr 09 2003 - 00:53:01 PDT
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